[(2R,3S,5R)-3-Hydroxy-5-[4-(Hydroxyamino)-2-Oxopyrimidin-1-Yl]Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 78232-33-4]

Identification

• Name: [(2R,3S,5R)-3-Hydroxy-5-[4-(Hydroxyamino)-2-Oxopyrimidin-1-Yl]Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-[4-(Hydroxyamino)-2-Oxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-[4-(Hydroxyamino)-2-Oxo-1-Pyrimidinyl]-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-[4-(Hydroxyamino)-2-Keto-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₆N₃O₁₄P₃
• Molecular Weight: 483.16
• CAS Registry Number: 78232-33-4
• SMILES: [C@H]2(N1C(N=C(C=C1)NO)=O)C[C@H](O)[C@H](O2)CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O
• InChI: 1S/C9H16N3O14P3/c13-5-3-8(12-2-1-7(11-15)10-9(12)14)24-6(5)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,5-6,8,13,15H,3-4H2,(H,19,20)(H,21,22)(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
• InChIKey: ZSOBZPYLVPKPTR-SHYZEUOFSA-N

Properties

• Density: 2.407g/cm³ (Cal.)
• Boiling point: 835.011°C at 760 mmHg (Cal.)
• Flash point: 458.798°C (Cal.)