2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate
Basic information
- CAS
124903-23-7- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1Cl- InChIKey
PMXKCWWCCFEDIK-RRKCRQDMSA-N- Molecular formula
- C9H13ClFN2O13P3
- Average molar mass
- 504.58 g/mol
- Monoisotopic mass
- 503.9303053
Names & identifiers
- Preferred name
- 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate
- IUPAC
- [[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
3'F-5-Cl-ddTTP124903-23-72',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphateUridine 5'-(tetrahydrogen triphosphate), 5-chloro-2',3'-dideoxy-3'-fluoro-DTXSID10924960Uridine 5'-(tetrahydrogen triphosphate), 5-chloro-2',3'-dideoxy-3'-fluoro- (9CI)[[(2R,3S,5R)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate5-Chloro-1-[2,3-dideoxy-3-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one5-Chloro-1-[2,3-dideoxy-3-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
Database identifiers
- CAS
124903-23-7- PubChem CID
- 451624
- DTXSID
DTXSID10924960
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 862
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