5-Amino-4-imidazolecarboxamide riboside 5'-triphosphate
[CAS# 82989-82-0]

Identification

• Name: 5-Amino-4-imidazolecarboxamide riboside 5'-triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(5-Amino-4-Carbamoyl-Imidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Amino-4-Carbamoyl-1-Imidazolyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Amino-4-Aminocarbonyl-Imidazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₇N₄O₁₄P₃
• Molecular Weight: 498.17
• CAS Registry Number: 82989-82-0
• SMILES: [C@H]2([N]1C=NC(=C1N)C(=O)N)[C@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O[P](=O)(O[P](=O)(O)O)O)O
• InChI: 1S/C9H17N4O14P3/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(25-9)1-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H,20,21)(H,22,23)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
• InChIKey: OCDLJXCWVQPFCK-UUOKFMHZSA-N

Properties

• Density: 2.629g/cm³ (Cal.)
• Boiling point: 990.041°C at 760 mmHg (Cal.)
• Flash point: 552.557°C (Cal.)