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CAS No.: | 35920-40-2 |
---|---|
Name: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-cyclopentyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C15H20 N6 O4 |
Molecular Weight: | 348.362 |
Density: | 1.88g/cm3 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
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Empirical Formula of Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2): C15H20N6O4
Molecular Weight: 348.3571 g/mol
Index of Refraction: 1.864
Density: 1.88 g/cm3
Structure of Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2):
IUPAC Name: (2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide
Canonical SMILES: C1CCC(C1)NC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O
Isomeric SMILES: C1CCC(C1)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O
InChI: InChI=1S/C15H20N6O4/c16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
InChIKey: ISNMLOJARGEFLK-BQVMBELUSA-N
1. | orl-mus LD50:200 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
2. | ipr-mus LD50:200 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2) also can be called Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxy- ; and 1-(6-Amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxyribofuranuronamide .