AC1L9Q6Y
5-methyl-1-[(2R,5S)-5-(phosphonatomethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: DiNa-5'-O-Phosphonomethyl-dT|Disodium 5'-O-(Phosphonomethyl)-3'-deoxythymidine|Thymidine, 3'-deoxy-5'-O-(phosphonomethyl)-, disodium salt|[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid|5-methyl-1-[(2R,5S)-5-(phosphonatomethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione|({[(2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}methyl)phosphonate
| Molecular Formula | C11H15N2O7P-2 |
|---|---|
| Molecular Weight | 318.06168 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.06168 |
| Monoisotopic Mass | 318.06168 |
| Heavy Atoms | 21 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 129151-63-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COCP(=O)([O-])[O-] |
| InChIKey | CRVTVTNGDKJALN-DTWKUNHWSA-L |
Product Overview
AC1L9Q6Y (CAS 129151-63-9), with molecular formula C11H15N2O7P-2 and molecular weight 318.06168 g/mol. IUPAC: 5-methyl-1-[(2R,5S)-5-(phosphonatomethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
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