3-Isoinosine
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one
Also Known As: 3-Isoinosine|3-Ribofuranosylhypoxanthine|3-(beta-D-Ribofuranosyl)hypoxanthine|3-beta-d-ribofuranosylhypoxanthine|3-Ribofuranosyl-1,6-dihydro-3H-purin-6-one|3-Pentofuranosyl-3,9-dihydro-6H-purin-6-one|3-(|A-d-ribofuranosyl)-3,7-dihydro-6h-purin-6-one|3-(beta-D-Ribofuranosyl)-3H-purin-6(7H)-one|6H-Purin-6-one, 3,7-dihydro-3-beta-D-ribofuranosyl-|3-beta-D-Ribofuranosyl-3,9-dihydro-6H-purin-6-one|3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one|3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-3H-purin-6-one
| Molecular Formula | C10H12N4O5 |
|---|---|
| Molecular Weight | 268.08078 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.08078 |
| Monoisotopic Mass | 268.08078 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 79624-33-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | ZZHJEOWCHAELGO-KQYNXXCUSA-N |
Product Overview
3-Isoinosine (CAS 79624-33-2), with molecular formula C10H12N4O5 and molecular weight 268.08078 g/mol. IUPAC: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one.