-
Name
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(2-hydroxyethyl)tetrahydrofuran-2-carboxamide (non-preferred name)
- EINECS
- CAS No. 35788-28-4
- Article Data3
- CAS DataBase
- Density 1.99g/cm3
- Solubility
- Melting Point
- Formula C12H16N6O5
- Boiling Point 462.64°C (rough estimate)
- Molecular Weight 324.34
- Flash Point
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Adenosin-5'-carbonsaeue-N-(β-hydroxyethyl)-amid;
- PSA 168.64000
- LogP -1.89170
Adenosine-5'-(N-(2-hydroxyethyl))carboxamide Chemical Properties
The Molecular Structure of Adenosine-5'-(N-(2-hydroxyethyl))carboxamide (CAS NO.35788-28-4):
Molecular Formula: C12H16N6O5
Molecular Weight: 324.292640 g/mol
Classification: Drug / Therapeutic Agent
Density: 1.99 g/cm3
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-hydroxyethyl)oxolane-2-carboxamide
Nominal Mass: 324 Da
Average Mass: 324.2926 Da
Monoisotopic Mass: 324.118218 Da
ACD/LogP: -1.59
Polar Surface Area: 104.07Å2
Index of Refraction: 1.859
Molar Refractivity: 73.08 cm3
Molar Volume: 162.3 cm3
Surface Tension: 101.6 dyne/cm
Smiles: O=C([C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]([C@@H]1O)O)NCCO
Adenosine-5'-(N-(2-hydroxyethyl))carboxamide Toxicity Data With Reference
| 1. | orl-mus LD50:5 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
| 2. | ipr-mus LD50:2 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Adenosine-5'-(N-(2-hydroxyethyl))carboxamide Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-(2-hydroxyethyl))carboxamide Specification
Adenosine-5'-(N-(2-hydroxyethyl))carboxamide (CAS NO.35788-28-4) is also called as 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2-
hydroxyethyl)ribofuranuronamide ; BRN 0631319 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxyethyl)- .
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