AC1LA97P
5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-tert-Butyl-2'-deoxy-4'-thiouridine|2'-Deoxy-5-(1,1-dimethylethyl)-4'-thiouridine|uridine, 2'-deoxy-5-(1,1-dimethylethyl)-4'-thio-|1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-tert-butyluracil|1-[4alpha-Hydroxy-5beta-(hydroxymethyl)tetrahydrothiophene-2beta-yl]-5-(tert-butyl)uracil|5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione|5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione|5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H20N2O4S |
|---|---|
| Molecular Weight | 300.11438 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11438 |
| Monoisotopic Mass | 300.11438 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 174357-93-8 |
|---|---|
| SMILES | CC(C)(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O |
| InChIKey | LLAYHABBEHJNRR-IVZWLZJFSA-N |
Product Overview
AC1LA97P (CAS 174357-93-8), with molecular formula C13H20N2O4S and molecular weight 300.11438 g/mol. IUPAC: 5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.