[(2R,3S,5R)-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-3-Yl] Phosphono Hydrogen Phosphate
[CAS# 73909-63-4]

Identification

• Name: [(2R,3S,5R)-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-3-Yl] Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate; [(2R,3S,5R)-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] Phosphono Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₉N₂O₂₀P₅
• Molecular Weight: 642.13
• CAS Registry Number: 73909-63-4
• SMILES: [C@@H]2(O[P](O[P](=O)(O)O)(=O)O)[C@H](O[C@@H](N1C(=O)NC(=O)C(=C1)C)C2)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C10H19N2O20P5/c1-5-3-12(10(14)11-9(5)13)8-2-6(29-36(23,24)30-33(15,16)17)7(28-8)4-27-35(21,22)32-37(25,26)31-34(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
• InChIKey: USELZJUBXJZGGJ-XLPZGREQSA-N

Properties

• Density: 2.103g/cm³ (Cal.)