-
Name
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(propan-2-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
- EINECS
- CAS No. 35788-29-5
- Article Data4
- CAS DataBase
- Density 1.79g/cm3
- Solubility
- Melting Point
- Formula C13H18N6O4
- Boiling Point °Cat760mmHg
- Molecular Weight 322.37
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-(6-amino-purin-9-yl)-β-D-1-deoxy-ribofuranuronic acid isopropylamide;ADENOSINE-5-(N-ISOPROPYL)CARBOXAMIDE;Adenosin-5'-carbonsaeure-N-isopropylamid;
- PSA 148.41000
- LogP -0.47560
Adenosine-5'-(N-isopropyl)carboxamide Chemical Properties
The Molecular Structure of Adenosine-5'-(N-isopropyl)carboxamide (CAS NO.35788-29-5):
Molecular Formula: C13H18N6O4
Molecular Weight: 322.319820 g/mol
Classification: Drug / Therapeutic Agent
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propan-2-yloxolane-2-carboxamide
Density: 1.79 g/cm3
Index of Refraction: 1.796
Molar Refractivity: 76.47 cm3
Molar Volume: 179.3 cm3
Surface Tension: 78.1 dyne/cm
Nominal Mass: 322 Da
Average Mass: 322.3198 Da
Monoisotopic Mass: 322.138953 Da
ACD/LogP: -0.13
Smiles: O=C([C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]([C@@H]1O)O)NC(C)C
Adenosine-5'-(N-isopropyl)carboxamide Toxicity Data With Reference
| 1. | orl-mus LD50:5 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'-(N-isopropyl)carboxamide Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-isopropyl)carboxamide Specification
Adenosine-5'-(N-isopropyl)carboxamide (CAS NO.35788-29-5) is also called as 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-isopropylribofuranuronamide ; BRN 0630717 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-isopropyl- .
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