[(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 79551-91-0]

Identification

• Name: [(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Dioxo-5-[(E)-Prop-1-Enyl]-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Diketo-5-[(E)-Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₉N₂O₁₄P₃
• Molecular Weight: 508.21
• CAS Registry Number: 79551-91-0
• SMILES: [C@@H]2(N1C(NC(=O)C(=C1)/C=C/C)=O)O[C@H](CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@H](C2)O
• InChI: 1S/C12H19N2O14P3/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(26-10)6-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/b3-2+/t8-,9+,10+/m0/s1
• InChIKey: CAXWPNQGBOGSQH-YJCWOPNRSA-N

Properties

• Density: 1.905g/cm³ (Cal.)