1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one
Also Known As: 2-Dmac|2'-Deoxy-6-methyl-5-azacytidine|1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol|1-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol|4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one
| Molecular Formula | C9H14N4O4 |
|---|---|
| Molecular Weight | 242.1015 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.1015 |
| Monoisotopic Mass | 242.1015 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 80646-65-7 |
|---|---|
| SMILES | CC1=NC(=NC(=O)N1[C@@H]2C[C@@H]([C@H](O2)CO)O)N |
| InChIKey | ATTRMYMZQWIZOR-XVMARJQXSA-N |
Product Overview
1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol (CAS 80646-65-7), with molecular formula C9H14N4O4 and molecular weight 242.1015 g/mol. IUPAC: 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one.
1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol is a custom synthesis product. We offer services from milligram to kilogram scale.
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