AC1NUSIB
(6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
Also Known As: Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-|(6S,7R)-7-Bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one|(6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
| Molecular Formula | C13H16BrN5O5 |
|---|---|
| Molecular Weight | 401.03348 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.03348 |
| Monoisotopic Mass | 401.03348 |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 111189-86-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C4N[C@H]([C@@H](CN4C3=O)Br)O)CO)O |
| InChIKey | DBHDGKBHUAWSDZ-IUKDSNFXSA-N |
Product Overview
AC1NUSIB (CAS 111189-86-7), with molecular formula C13H16BrN5O5 and molecular weight 401.03348 g/mol. IUPAC: (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one.
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