Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-3',5-difluoro-

HCID 451623

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Basic information

CAS: 124903-22-6
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)cc1F
InChIKey: LAKKQICAGYOWHI-UBKIQSJTSA-N
Molecular formula: C9H13F2N2O13P3
Average molar mass: 488.12 g/mol
Monoisotopic mass: 487.95985579

Names & identifiers

Preferred name: Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-3',5-difluoro-
IUPAC: [[(2R,3S,5R)-3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Names & synonyms

3',5-diF-ddTTP124903-22-6Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-3',5-difluoro-2',3'-Dideoxy-3'-fluoro-5'-fluorouridine-5'-triphosphateSCHEMBL29936628DTXSID301545202',3'-Dideoxy-3',5-difluorouridine 5'-(tetrahydrogen triphosphate)Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-3',5-difluoro- (9CI)[[(2R,3S,5R)-3-fluoro-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

Database identifiers

CAS: 124903-22-6
PubChem CID: 451623
DTXSID: DTXSID30154520

Properties

Computed structural properties

XLogP: -4
Topological polar surface area: 218 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 15
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 860

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