5-(3,3,3-Trifluoro-1-Propenyl)-2'-Deoxyuridylate
[CAS# 69150-50-1]

Identification

• Name: 5-(3,3,3-Trifluoro-1-Propenyl)-2'-Deoxyuridylate
• Synonyms: [(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-3,3,3-Trifluoroprop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-3,3,3-Trifluoroprop-1-Enyl]-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Diketo-5-[(E)-3,3,3-Trifluoroprop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₁₄F₃N₂O₈P
• Molecular Weight: 402.22
• CAS Registry Number: 69150-50-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](=O)(O)O)N2C(=O)NC(=O)C(=C2)\C=C\C(F)(F)F
• InChI: 1S/C12H14F3N2O8P/c13-12(14,15)2-1-6-4-17(11(20)16-10(6)19)9-3-7(18)8(25-9)5-24-26(21,22)23/h1-2,4,7-9,18H,3,5H2,(H,16,19,20)(H2,21,22,23)/b2-1+/t7-,8+,9+/m0/s1
• InChIKey: GUYOIQPPMMTUIR-PIXDULNESA-N

Properties

• Density: 1.771g/cm³ (Cal.)