4-Hydroxy-3-beta-D-Ribofuranosyl-1H-Pyrazole-5-Carboxamide Monohydrate
[CAS# 30868-30-5]

Identification

• Name: 4-Hydroxy-3-beta-D-Ribofuranosyl-1H-Pyrazole-5-Carboxamide Monohydrate
• Synonyms: (3Z)-3-(Amino-Hydroxy-Methylene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2H-Pyrazol-4-One; (3Z)-3-(Amino-Hydroxymethylene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2H-Pyrazol-4-One; (3Z)-3-(Amino-Hydroxy-Methylene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-2H-Pyrazol-4-One
• Molecular Formula: C₉H₁₃N₃O₆
• Molecular Weight: 259.22
• CAS Registry Number: 30868-30-5
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1C2=NNC(/C2=O)=C(\O)N)CO
• InChI: 1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,12-14,16-17H,1,10H2/b9-4-/t2-,5-,7-,8+/m1/s1
• InChIKey: CUVZEMGCUKKNOR-LNTXVZDSSA-N

Properties

• Density: 2.167g/cm³ (Cal.)
• Boiling point: 485.75°C at 760 mmHg (Cal.)
• Flash point: 247.573°C (Cal.)