Thymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3',3'-difluoro-
Basic information
- CAS
107718-73-0- Standard SMILES
Cc1cn([C@H]2CC(F)(F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
BLKDGBHODQMJFB-RNFRBKRXSA-N- Molecular formula
- C10H15F2N2O13P3
- Average molar mass
- 502.15 g/mol
- Monoisotopic mass
- 501.97550585
Names & identifiers
- Preferred name
- Thymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3',3'-difluoro-
- IUPAC
- [[(2R,5R)-3,3-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
3'-F2-dTTPThymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3',3'-difluoro-107718-73-03',3'-Difluoro-3'-deoxythymidine triphosphateDTXSID40148218BLKDGBHODQMJFB-RNFRBKRXSA-NThymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3',3'-difluoro- (9CI)[[(2R,5R)-3,3-difluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Database identifiers
- CAS
107718-73-0- PubChem CID
- 451385
- DTXSID
DTXSID40148218
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 904
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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