-
Name
9-[5-(methoxyamino)-beta-D-ribo-pentodialdo-1,4-furanosyl]-9H-purin-6-amine
- EINECS
- CAS No. 54925-45-0
- Density 2g/cm3
- Solubility
- Melting Point
- Formula C11H14N6O5•H2O
- Boiling Point °Cat760mmHg
- Molecular Weight 328.33
- 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
- PSA
- LogP
Adenosine-5'-(N-methoxy)carboxamide hydrate Chemical Properties
The Molecular Structure of Adenosine-5'-(N-methoxy)carboxamide hydrate (CAS NO.54925-45-0):
Molecular Formula: C11H14N6O5
Molecular Weight: 310.266060 g/mol
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methoxyoxolane-2-carboxamide
Nominal Mass: 310 Da
Average Mass: 310.2661 Da
Monoisotopic Mass: 310.102568 Da
Classification: Drug / Therapeutic Agent
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.24
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 17.44
ACD/KOC (pH 7.4): 17.65
Polar Surface Area: 104.07Å2
Index of Refraction: 1.846
Molar Refractivity: 68.82 cm3
Molar Volume: 154.5 cm3
Surface Tension: 95.1 dyne/cm
Density: 2 g/cm3
Adenosine-5'-(N-methoxy)carboxamide hydrate Toxicity Data With Reference
| 1. | orl-mus LD50:50 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
| 2. | ipr-mus LD50:20 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Adenosine-5'-(N-methoxy)carboxamide hydrate Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-methoxy)carboxamide hydrate Specification
Adenosine-5'-(N-methoxy)carboxamide hydrate (CAS NO.54925-45-0) is also called as 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methoxyribofuranuronamide hydrate ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-methoxy-,hydrate .
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