(3E)-3-(Amino-Hydroxymethylidene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methyloxolan-2-Yl]-2H-Pyrazol-4-One
[CAS# 143645-19-6]

Identification

• Name: (3E)-3-(Amino-Hydroxymethylidene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methyloxolan-2-Yl]-2H-Pyrazol-4-One
• Synonyms: (3E)-3-(Amino-Hydroxy-Methylene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-Tetrahydrofuran-2-Yl]-2H-Pyrazol-4-One; (3E)-3-(Amino-Hydroxymethylene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-2-Tetrahydrofuranyl]-2H-Pyrazol-4-One; (3E)-3-(Amino-Hydroxy-Methylidene)-5-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-Oxolan-2-Yl]-2H-Pyrazol-4-One
• Molecular Formula: C₉H₁₃N₃O₅
• Molecular Weight: 243.22
• CAS Registry Number: 143645-19-6
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1C2=NNC(/C2=O)=C(/O)N)C
• InChI: 1S/C9H13N3O5/c1-2-5(13)7(15)8(17-2)3-6(14)4(9(10)16)12-11-3/h2,5,7-8,12-13,15-16H,10H2,1H3/b9-4+/t2-,5-,7-,8+/m1/s1
• InChIKey: BAHLFQPXQUAJCG-VXMXIGCYSA-N

Properties

• Density: 2.002g/cm³ (Cal.)
• Boiling point: 415.799°C at 760 mmHg (Cal.)
• Flash point: 205.268°C (Cal.)