Basic information
- CAS
129151-76-4- Standard SMILES
Cc1cn([C@H]2C[C@H](F)[C@@H](COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
ZYJUSNQMBUQVGJ-DJLDLDEBSA-N- Molecular formula
- C11H18FN2O13P3
- Average molar mass
- 498.19 g/mol
- Monoisotopic mass
- 498.00057779
Names & identifiers
- Preferred name
- 5'-O-Triphosphomethyl-3-FdT
- IUPAC
- [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Names & synonyms
5'-O-Triphosphomethyl-3-FdT129151-76-45'-O-(Triphosphomethyl)-3'-deoxy-3'-fluorothymidineThymidine, 3'-deoxy-3'-fluoro-5'-O-(2,4,6,6-tetrahydroxy-2,4,6-trioxido-3,5-dioxa-2,4,6-triphosphahex-1-yl)-CHEMBL3350646DTXSID10156082[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid3'-Deoxy-3'-fluoro-5'-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]thymidine
Database identifiers
- CAS
129151-76-4- PubChem CID
- 452276
- DTXSID
DTXSID10156082- ChEMBL
CHEMBL3350646
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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