![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302 Ata Fa'apitoa](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 263.25 | - |
| Lisi Lisi (Fa'ata'ita'i) | 177.1-178.3 °C | - |
| Fa'apuna (Va'ai) | 666.6±55.0 °C | Lomitusi: 760 Torr |
| To'atele (Va'ai) | 1.50±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 11.20±0.20 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I Canonical O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric SMILES C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChI Ki
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Isi Igoa mo lea Mea
(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione (ACI); 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S)- (ZCI); (4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)trione; (4S)-4-Ethyl-4-
hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10-trione; (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indorizine-3,6,10 (4H)-trione
| Meatotino avanoa |
| Optical ma Fa'asalalau |
| Mafanafana |
Optical ma Fa'asalalau
| Meatotino | Taua | Tulaga | Punavai |
| Malosi Fa'ata'amilo Mata | +120.6 deg | c: 0.62 g/100mL; Solvent: Chloroform | (1) IC |
| Malosi Fa'ata'amilo Mata | +120.57 deg | c: 0.62 g/100mL; Solvent: Chloroform; Maalili: 20 °C | (2) IC |
| Malosi Fa'ata'amilo Mata | +119.57 deg | c: 1.0 g/100mL; Solvent: Chloroform; λ: 589.3 nm; Maalili: 25 °C | (3) CAS |
| Malosi Fa'ata'amilo Mata | +119.57 tikeri·mL/g·dm | c: 1.0 g/100mL; Solvent: Chloroform; λ: laina Sodium D; Maalili: 25 °C | (4) CAS |
| Malosi Fa'ata'amilo Mata | +117.6 deg | c: 0.56 g/100mL; Solvent: Chloroform; Maalili: 23 °C | (5) IC |
| Malosi Fa'ata'amilo Mata | +116.14 tikeri·mL/g·dm | c: 1.0 g/100mL; Solvent: Chloroform; λ: laina Sodium D; Maalili: 26 °C | (4) CAS |
| Malosi Fa'ata'amilo Mata | +96 deg | c: 0.40 g/100mL; Maalili: 21 °C | (6) IC |
| Malosi Fa'ata'amilo Mata | +77.8 deg | c: 0.62 g/100mL; Solvent: Chloroform; λ: 589.3 nm; Maalili: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi; Vailaau Fa'amanino & Fale Talavai, (1989), 37(12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Chemistry - Ose Asian Journal, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(6) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Mafanafana
| Meatotino | Taua | Tulaga | Punavai | |
| Lisi Lisi | 183-185 °C (fa'apa) | (1) CAS | ||
| Lisi Lisi | 177.1-178.3 °C | (2) CAS | ||
| Lisi Lisi | 176-177 °C (fa'apala) | (3) IC | ||
| Lisi Lisi | 169-170 °C | Solvent: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(3) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(4) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
Spectra avanoa
1H NMR
Misasa
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
| Mafanafana |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 7.37 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 7.37 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.94 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.96 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 371 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 392 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | Suavai e le fa'afefe pH 5.53; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai | |
| Molar Solubility | 1.41 mol/L | pH 6; Maalili: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 7; Maalili: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 8; Maalili: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 9; Maalili: 25 °C | (1) ACD | |
| Molar Solubility | 1.49 mol/L | pH 10; Maalili: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | Suavai e le fa'afefe pH 5.53; Maalili: 25 °C | (1) ACD | |
| Molecular Weight | 263.25 | |||
| pKa | 11.20±0.20 | Le Tele o le Acid Temp: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Vave Autu: 25 °C | (1) ACD | |
| Omiga ausa | 1.29 x 10-20 | Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.50±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 174.8±5.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 2 | (1) ACD | |
| H Tagata talia | 6 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 7 | (1) ACD | |
| logP | -0.936±0.842 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 263.25 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 83.9 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Mafanafana
| Meatotino | Taua | Tulaga | Punavai |
| Fa'apuna | 666.6±55.0 °C | Lomitusi: 760 Torr | (1) ACD |
| Entalpy o le Ausa | 112.17±6.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
| Mata'imu | 357.0±31.5 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR
| Code | Fa'amatalaga o Tulaga Lamatia | Punavai |
| H319 | E mafua ai le tiga mata'utia | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
| H302 | E afaina pe a foloina | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
Fa'amatalaga Fa'alilolilo Pisinisi: Lautele
| Tulaga Fa'atonu | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indorizine-3,6,10(4H)-trione | - | Falani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indorizine-3,6,10(4H)-trione | - | Falani |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Tenimaka, Siamani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indorizine-3,6,10(4H)-trion | - | Siamani |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Tenimaka, Siamani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Siamani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Potukale, Sipaniolo |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Potukale, Sipaniolo |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Italia |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Italia |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Swedish |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Swedish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Finnish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finnish |
Fa'amatalaga e le Atunu'u/Fa'ava-o-malo & Isi Lisi
Fa'asologa Fa'asologa Fa'asologa: 293499 Fa'amatalaga Atunu'u/ Fa'aitulagi Maua
Aotelega a le Iuni a Europa
Fu'a EU
EU Tiute Code CN : 29349990
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