[(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]Oxolan-3-Yl] Phosphono Hydrogen Phosphate
[CAS# 73205-34-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]Oxolan-3-Yl] Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₉H₁₇N₃O₁₇P₄
• Molecular Weight: 563.14
• CAS Registry Number: 73205-34-2
• SMILES: [C@H]1(O[P](O[P](=O)(O)O)(=O)O)[C@@H](O)[C@@H](O[C@@H]1CO[P](O[P](=O)(O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C9H17N3O17P4/c10-5-1-2-12(9(14)11-5)8-6(13)7(27-33(23,24)29-31(18,19)20)4(26-8)3-25-32(21,22)28-30(15,16)17/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H2,10,11,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
• InChIKey: KCYLRYJAQINMGQ-XVFCMESISA-N

Properties

• Density: 2.63g/cm³ (Cal.)
• Boiling point: 962.956°C at 760 mmHg (Cal.)
• Flash point: 536.177°C (Cal.)