[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Methylphosphoryl] Phosphono Hydrogen Phosphate
[CAS# 138989-23-8]

Identification

• Name: [[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Methylphosphoryl] Phosphono Hydrogen Phosphate
• Synonyms: [[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Methyl-Phosphoryl] Phosphono Hydrogen Phosphate; [[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy-Methylphosphoryl] Phosphono Hydrogen Phosphate; [[(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Methyl-Phosphoryl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₉N₂O₁₃P₃
• Molecular Weight: 480.20
• CAS Registry Number: 138989-23-8
• SMILES: [C@@H]1(CO[P](O[P](O[P](O)(=O)O)(=O)O)(C)=O)[C@@H](O)C[C@@H](O1)N2C(=O)NC(=O)C(=C2)C
• InChI: 1S/C11H19N2O13P3/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(24-9)5-23-27(2,17)25-29(21,22)26-28(18,19)20/h4,7-9,14H,3,5H2,1-2H3,(H,21,22)(H,12,15,16)(H2,18,19,20)/t7-,8+,9+,27?/m0/s1
• InChIKey: QQFHAAZWMATUAB-DMCCTYFOSA-N

Properties

• Density: 1.78g/cm³ (Cal.)