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Cas Database |
| Name |
Adenosine-5'-carboxamide |
EINECS | N/A |
| CAS No. | 35788-21-7 | Density | 2.24g/cm3 |
| PSA | 162.40000 | LogP | -1.20550 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H22 Co O14 | Boiling Point | 800.8°Cat760mmHg |
| Molecular Weight | 280.243 | Flash Point | 438.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cobalt,bis(D-gluconato-O1,O2)-, (T-4)-; D-Gluconic acid, cobalt complex; Cobalt(2+)gluconate |
Article Data | 7 |
Adenosine-5'-carboxamide Chemical Properties
The Molecular Structure of Adenosine-5'-carboxamide (CAS NO.35788-21-7 ):
Molecular Formula: C10H12N6O4
Molecular Weight: 280.240080 g/mol
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Classification: Drug / Therapeutic Agent
Nominal Mass: 280 Da
Average Mass: 280.2401 Da
Monoisotopic Mass: 280.092003 Da
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -1.2
ACD/LogD (pH 7.4): -1.2
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.25
ACD/KOC (pH 7.4): 5.33
Polar Surface Area: 94.84Å2
Index of Refraction: 1.985
Molar Refractivity: 61.87 cm3
Molar Volume: 124.9 cm3
Surface Tension: 127.6 dyne/cm
Density: 2.24 g/cm3
Flash Point: 438.1 °C
Enthalpy of Vaporization: 122.1 kJ/mol
Boiling Point: 800.8 °C at 760 mmHg
Vapour Pressure: 4.64E-27 mmHg at 25°C
InChI:InChI=1/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
Smiles:O1[C@@H]([C@H]([C@H]([C@@H]1n1c2c(c(N)ncn2)nc1)O)O)C(=O)N
Adenosine-5'-carboxamide Toxicity Data With Reference
| 1. | orl-mus LD50:50 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
| 2. | ipr-mus LD50:5 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Adenosine-5'-carboxamide Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-carboxamide Specification
Adenosine-5'-carboxamide (CAS NO.35788-21-7 ) is also called as BRN 0627741 ; NSC 144697 ; beta-D-1-(6-Amino-9H-purin-9-yl)-1-deoxyribofuranuronamide ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-, beta-D- ; beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy- .
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