3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-cyclohexyloxy-oxophosphanium
Also Known As: Phosphonate deriv. of AZT|J1.468.664I|3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate|Thymidine, 3'-azido-3'-deoxy-, 5'-(cyclohexyl phosphonate) (9CI)|3 -Azido-3 -deoxythymidine 5 -(phosphonic acid cyclohexyl) ester|3 -Azido-3 -deoxythymidine 5 -phosphonic acid cyclohexyl ester|[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl cyclohexyl phosphonate|[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-cyclohexyloxy-oxophosphanium|1-[(2R,4S,5S)-4-azido-5-(cyclohexoxyphosphonoyloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione|1-[(2R,4S,5S)-4-azido-5-(cyclohexyloxyphosphonoyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C16H23N5O6P+ |
|---|---|
| Molecular Weight | 412.13858 g/mol |
| LogP | 2.83472 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13858 |
| Monoisotopic Mass | 412.13858 |
| Heavy Atoms | 28 |
| Complexity | 873.01117 |
Chemical Identifiers
| CAS Number | 329237-23-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC3CCCCC3)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate (CAS 329237-23-2), with molecular formula C16H23N5O6P+ and molecular weight 412.13858 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-cyclohexyloxy-oxophosphanium.