5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate
[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Cid 6443208|1-bromo-4-(1-bromoethenyl)benzene|5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate|5-(3,4-dimethylphenyl)-2-phenyl-1,3-oxazole|(E)-2'-Deoxy-5-(3,3,3-trifluoro-1-propenyl)-5'-uridylic acid|[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS: 69151-18-4
| Molecular Formula | C12H14F3N2O8P |
|---|---|
| Molecular Weight | 402.04398 g/mol |
| LogP | -0.1302 |
| Topological Polar Surface Area | 151.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.04398 |
| Monoisotopic Mass | 402.04398 |
| Heavy Atoms | 26 |
| Complexity | 842.10266 |
Chemical Identifiers
| CAS Number | 69151-18-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(F)(F)F)COP(=O)(O)O)O |
Product Overview
5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate (CAS 69151-18-4), with molecular formula C12H14F3N2O8P and molecular weight 402.04398 g/mol. IUPAC: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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