[(2R,3S,5R)-5-[2,4-Dioxo-5-(Trifluoromethyl)Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 345-03-9]

Identification

• Name: [(2R,3S,5R)-5-[2,4-Dioxo-5-(Trifluoromethyl)Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-[2,4-Dioxo-5-(Trifluoromethyl)Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Dioxo-5-(Trifluoromethyl)-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Diketo-5-(Trifluoromethyl)Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄F₃N₂O₁₄P₃
• Molecular Weight: 536.14
• CAS Registry Number: 345-03-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)NC(=O)C(=C2)C(F)(F)F
• InChI: 1S/C10H14F3N2O14P3/c11-10(12,13)4-2-15(9(18)14-8(4)17)7-1-5(16)6(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,5-7,16H,1,3H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
• InChIKey: VSXILDJQEIBHQR-RRKCRQDMSA-N

Properties

• Density: 2.032g/cm³ (Cal.)