AC1MHP8J
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide
Also Known As: Adenosine-5'-(N-ethyl)carboxamide N'-oxide|1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethylribofuranuronamide N-oxide|Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-, N-oxide|(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide|9-(5-Ethylamino-5-oxo-5-deoxy-beta-D-ribofuranosyl)-6-amino-1-oxylato-9H-purin-1-ium|(2S,3S,4R,5R)-N-ETHYL-3,4-DIHYDROXY-5-(1-HYDROXY-6-IMINO-PURIN-9-YL)OX OLANE-2-CARBOXAMIDE|6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-1-ium-1-olate
| Molecular Formula | C12H16N6O5 |
|---|---|
| Molecular Weight | 324.11823 g/mol |
| LogP | -2.29513 |
| Topological Polar Surface Area | 158.51 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11823 |
| Monoisotopic Mass | 324.11823 |
| Heavy Atoms | 23 |
| Complexity | 800.82544 |
Chemical Identifiers
| CAS Number | 72209-27-9 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN(C3=N)O)O)O |
Product Overview
AC1MHP8J (CAS 72209-27-9), with molecular formula C12H16N6O5 and molecular weight 324.11823 g/mol. IUPAC: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide.
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