Allopurinol Riboside 5'-Monophosphate
[CAS# 26753-52-6]

Identification

• Name: Allopurinol Riboside 5'-Monophosphate
• Synonyms: 1,5-Dihydro-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-4H-Pyrazolo(3,4-D)Pyrimidin-4-One; 4H-Pyrazolo(3,4-D)Pyrimidin-4-One, 1,5-Dihydro-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-; Allopurinol Riboside 5'-Monophosphate
• Molecular Formula: C₁₀H₁₃N₄O₈P
• Molecular Weight: 348.21
• CAS Registry Number: 26753-52-6
• SMILES: [C@H]1(O)C(O[C@@H]([C@H]1O)CO[P](O)(O)=O)N2NC=C3C2=NC=NC3=O
• InChI: 1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-10(7(6)16)14-8-4(1-13-14)9(17)12-3-11-8/h1,3,5-7,10,13,15-16H,2H2,(H2,18,19,20)/t5-,6-,7-,10?/m1/s1
• InChIKey: HTHXSXRMCTWBOC-FQKWXIQFSA-N

Properties

• Density: 2.319g/cm³ (Cal.)
• Boiling point: 699.863°C at 760 mmHg (Cal.)
• Flash point: 377.064°C (Cal.)