3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium
Also Known As: Phosphonate deriv. of AZT|J1.468.663K|3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate|3 -Azido-3 -deoxythymidine 5 -(phosphonic acid isopropyl) ester|3 -Azido-3 -deoxythymidine 5 -phosphonic acid isopropyl ester|Thymidine, 3'-azido-3'-deoxy-, 5'-(1-methylethyl phosphonate) (9CI)|[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl propan-2-yl phosphonate|[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium|1-[(2R,4S,5S)-4-azido-5-(isopropoxyphosphonoyloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione|1-[(2R,4S,5S)-4-azido-5-(propan-2-yloxyphosphonoyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C13H19N5O6P+ |
|---|---|
| Molecular Weight | 372.1073 g/mol |
| LogP | 1.91042 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1073 |
| Monoisotopic Mass | 372.1073 |
| Heavy Atoms | 25 |
| Complexity | 798.8347 |
Chemical Identifiers
| CAS Number | 329237-18-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC(C)C)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate (CAS 329237-18-5), with molecular formula C13H19N5O6P+ and molecular weight 372.1073 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium.