![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2-R, methyl-R) (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2-R, methyl-R) (9CI, ACI) Ata Fa'apitoa](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2-R, methyl-R) (9CI, ACI)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 542.58 | - |
| Fa'apuna (Va'ai) | 692.9±65.0 °C | Lomitusi: 760 Torr |
| To'atele (Va'ai) | 1.33±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 12.51±0.60 | Le Tele o le Asi Sua: 25 °C |
ATA AFATA O=C1N=C2OC3C(O)C(OC3N2C=C1C)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=C(C)C(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C=CC)C6=C5
InChI
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
InChI Ki
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Isi igoa mo lenei mea
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]pyrimidin-6
Spectra avanoa
1H NMR
13C NMR
Misasa
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
| Mafanafana |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 2800 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2790 | 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 | 10200 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 5; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 10200 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 10200 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.84 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 4.839±0.618 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3.6 x 10-4 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-7 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 542.58 | ||
| pKa | 12.51±0.60 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
| pKa | -4.38±0.60 | Vave Autu: 25 °C | (1) ACD |
| Omiga ausa | 3.73 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 | 1.33±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 404.9±7.0 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 | 9 | (1) ACD | |
| H Tagata talia | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 10 | (1) ACD | |
| logP | 4.839±0.618 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 542.58 |
(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 | 99.1 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 | 692.9±65.0 °C | Lomitusi: 760 Torr | (1) ACD |
| Entalpy o le Ausa | 106.61±3.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
| Mata'imu | 372.8±34.3 °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
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