[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Oxo-4-Sulfanylidenepyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 31556-28-2]

Identification

• Name: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Oxo-4-Sulfanylidenepyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Oxo-4-Thioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Oxo-4-Thioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Keto-4-Thioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₅N₂O₁₄P₃S
• Molecular Weight: 500.20
• CAS Registry Number: 31556-28-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)NC(=S)C=C2
• InChI: 1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
• InChIKey: GKVHYBAWZAYQDO-XVFCMESISA-N

Properties

• Density: 2.099g/cm³ (Cal.)