C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 371.35 | - |
| Lisi Lisi (Fa'ata'ita'i) | 152 °C | - |
| To'atele (Va'ai) | 1.70±0.1g/cm3 | Maalili: 20 °C;Lomitusi: 760 Torr |
| pKa (vala'aina) | 7.87±0.43 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I Canonical O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric SMILES O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21- 16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26 )/t10-,12-,13-,17-/m1/s1
InChI Ki
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Isi Igoa mo lea Mea
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Meatotino avanoa |
| Mafanafana |
Mafanafana
| Meatotino | Taua | Tulaga | Punavai |
| Lisi Lisi | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Taualumaga - Indian Academy of Sciences, Chemical Sciences, (1989), 101(5), 401-13, CAplus
Spectra avanoa
1H NMR
13C NMR
Hetero NMR
IR
| Meatotino avanoa |
| Biological |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
Biological
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.0 | pH 1;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.83 | pH 2;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.56 | pH 3;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.67 | pH 4;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.68 | pH 5;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.65 | pH 6;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.37 | pH 7;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.16 | 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 | 12.6 | pH 1;Maalili: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2;Maalili: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3;Maalili: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4;Maalili: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5;Maalili: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6;Maalili: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7;Maalili: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8;Maalili: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9;Maalili: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.12 | pH 1;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.70 | pH 2;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.85 | pH 3;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.86 | pH 4;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.87 | pH 5;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.86 | pH 6;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.81 | pH 7;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.50 | pH 8;Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.24 | pH 9;Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.89 | pH 10;Maalili: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 0.037 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.22 g/L | pH 1;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.056 g/L | pH 2;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH 3;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH 4;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.037 g/L | pH 5;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH 6;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.045 g/L | pH 7;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.089 g/L | pH 8;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.48 g/L | pH 9;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 2.2 g/L | pH 10;Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Mass Solubility | 0.041 g/L | Suavai e le fa'afefe pH 5.93;Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-4 mol/L | pH 1;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-4 mol/L | pH 2;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 3;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 4;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-4 mol/L | pH 5;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 6;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.2 x 10-4 mol/L | pH 7;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-4 mol/L | pH 8;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol/L | pH 9;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.0 x 10-3 mol/L | pH 10;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | Suavai e le fa'afefe pH 5.93;Maalili: 25 °C | (1) ACD |
| Molecular Weight | 371.35 | ||
| pKa | 7.87±0.43 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Tele Su'esu'ega Autu: 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 | 1.70±0.1g/cm3 | Maalili: 20 °C;Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 217.3±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 | 6 | (1) ACD | |
| H Tagata talia | 10 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 14 | (1) ACD | |
| logP | 0.868±0.577 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 371.35 |
(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 | 143 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)
Spectra avanoa
1H NMR
13C NMR
| Code | Fa'amatalaga o Tulaga Lamatia | Punavai |
| H333 | Atonu e afaina pe a manava | Fa'atonu Fa'apitoa |
| H303 | Atonu e afaina pe a foloina | Fa'atonu Fa'apitoa |
| 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. |
Lisi Fa'atonu: REACH, TCSI
Fa'amatalaga Fa'alilolilo Pisinisi: Lautele
| Tulaga Fa'atonu | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | AOSI | - |
| N6-Benzoyladenosine | AOSI | - |
Fa'amatalaga e le Atunu'u/Fa'ava-o-malo & Isi Lisi Atunu'u/Regiona Fa'amatalaga Maua
Aotelega a le Iuni a Europa
Tulaga Fa'amau i luga ole REACH Lisi o Mea Fa'amau
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Lisi Fa'atonu Numera EC Nu.: 610-251-3
Taiuani Aotelega
Tulaga Fa'amaumauga ile TCSI Taiwan Government Ga
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