Ethyl adenosine-5'-carboxylate
ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
Also Known As: Ethyl adenosine-5'-carboxylate|Abbott 40557|ethyladenosine-5'-carboxylate|Abbott 40557, mono-hydrochloride|adenosine-5'-carboxylic acid ethyl ester|A-40557|1-(2,4-Dimethyl-phenyl)-3-methyl-butan-1-on|1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronic acid ethyl ester|9-(5-ethyl-|A-d-ribofuranosyluronosyl)-9h-purin-6-amine|9-(5-Ethylpentofuranosyluronosyl)-9H-purin-6-amine|beta-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-, ethyl ester|ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate|9-(5-Ethyl-beta-D-ribofuranosyluronosyl)-9H-purin-6-amine|.BETA.-D-RIBOFURANURONIC ACID, 1-(6-AMINO-9H-PURIN-9-YL)-1-DEOXY-, ETHYL ESTER|ethyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
| Molecular Formula | C12H15N5O5 |
|---|---|
| Molecular Weight | 309.10733 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.10733 |
| Monoisotopic Mass | 309.10733 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 54532-18-2 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | IHTXJAFDKUQWOX-MCHASIABSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl adenosine-5'-carboxylate (CAS 54532-18-2), with molecular formula C12H15N5O5 and molecular weight 309.10733 g/mol. IUPAC: ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate.