[(2R,3S,5R)-5-(5-Amino-4-Carbamoylimidazol-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 133179-57-4]

Identification

• Name: [(2R,3S,5R)-5-(5-Amino-4-Carbamoylimidazol-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(5-Amino-4-Carbamoyl-Imidazol-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(5-Amino-4-Carbamoyl-1-Imidazolyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(5-Amino-4-Aminocarbonyl-Imidazol-1-Yl)-3-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₇N₄O₁₃P₃
• Molecular Weight: 482.17
• CAS Registry Number: 133179-57-4
• SMILES: [C@H]1([C@H](O[C@H](C1)[N]2C(=C(N=C2)C(N)=O)N)CO[P](O[P](O[P](=O)(O)O)(O)=O)(O)=O)O
• InChI: 1S/C9H17N4O13P3/c10-8-7(9(11)15)12-3-13(8)6-1-4(14)5(24-6)2-23-28(19,20)26-29(21,22)25-27(16,17)18/h3-6,14H,1-2,10H2,(H2,11,15)(H,19,20)(H,21,22)(H2,16,17,18)/t4-,5+,6+/m0/s1
• InChIKey: ZSWKTONLZMNFPT-KVQBGUIXSA-N

Properties

• Density: 2.508g/cm³ (Cal.)
• Boiling point: 950.968°C at 760 mmHg (Cal.)
• Flash point: 528.927°C (Cal.)