(Hydroxy-Phosphonooxyphosphoryl) [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-3-Sulfanyloxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 135490-62-9]

Identification

• Name: (Hydroxy-Phosphonooxyphosphoryl) [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-3-Sulfanyloxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: (Hydroxy-Phosphonooxy-Phosphoryl) [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-3-Sulfanyl-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; (Hydroxy-Phosphonooxyphosphoryl) [(2R,3S,5R)-3-Mercapto-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Mercapto-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₇N₂O₁₃P₃S
• Molecular Weight: 498.23
• CAS Registry Number: 135490-62-9
• SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@@H](S)C[C@@H](O1)N2C(=O)NC(=O)C(=C2)C
• InChI: 1S/C10H17N2O13P3S/c1-5-3-12(10(14)11-9(5)13)8-2-7(29)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h3,6-8,29H,2,4H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1
• InChIKey: CAPCNIFVHOVZCQ-GJMOJQLCSA-N

Properties

• Density: 1.88g/cm³ (Cal.)