Thymidine, 3'-deoxy-3'-fluoro-, 5'-(hydrogen methylphosphonate)
Basic information
- CAS
139459-43-1- Standard SMILES
Cc1cn([C@H]2C[C@H](F)[C@@H](COP(C)(=O)O)O2)c(=O)[nH]c1=O- InChIKey
ZDXSFTCMMYNLEF-DJLDLDEBSA-N- Molecular formula
- C11H16FN2O6P
- Average molar mass
- 322.23 g/mol
- Monoisotopic mass
- 322.07300139
Names & identifiers
- Preferred name
- Thymidine, 3'-deoxy-3'-fluoro-, 5'-(hydrogen methylphosphonate)
- IUPAC
- [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinic acid
Names & synonyms
FLT-MePThymidine, 3'-deoxy-3'-fluoro-, 5'-(hydrogen methylphosphonate)139459-43-1DTXSID701610513'-Deoxy-3'-fluoro-5'-O-[hydroxy(methyl)phosphoryl]thymidine[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methyl-phosphinic acid
Database identifiers
- CAS
139459-43-1- PubChem CID
- 454599
- DTXSID
DTXSID70161051
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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