[(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid
Basic information
- CAS
129174-13-6- Standard SMILES
CO[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COCP(=O)([O-])[O-]- InChIKey
FYDUXUJLMBAFGB-IVZWLZJFSA-L- Molecular formula
- C12H17N2O8P-2
- Average molar mass
- 348.25 g/mol
- Monoisotopic mass
- 348.0722525
Names & identifiers
- Preferred name
- [(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid
- IUPAC
- 1-[(2R,4S,5R)-4-methoxy-5-(phosphonatomethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
129174-13-6AC1L9Q74DTXSID40332352DiNa-5'-O-Phosphonomethyl-3'-O-CH3T[(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid3'-O-Methyl-5'-O-(phosphonatomethyl)thymidineDisodium 5'-O-(Phosphonomethyl)-3'-O-methylthymidineThymidine, 3'-O-methyl-5'-O-(phosphonomethyl)-, disodium salt
Database identifiers
- CAS
129174-13-6- PubChem CID
- 452272
- DTXSID
DTXSID40332352
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- -2
- Complexity
- 548
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