(2R,3R,4R,5S)-2-(1H-1,2,4-Triazol-1-ylmethyl)-3,4,5-piperidinetriol
[CAS# 748814-86-0]

Identification

• Name: (2R,3R,4R,5S)-2-(1H-1,2,4-Triazol-1-ylmethyl)-3,4,5-piperidinetriol
• Synonyms: (2R,3R,4R,5S)-2-((1H-1,2,4-triazol-1-yl)methyl)piperidine-3,4,5-triol
• Molecular Formula: C₈H₁₄N₄O₃
• Molecular Weight: 214.22
• CAS Registry Number: 748814-86-0
• SMILES: c1ncn(n1)C[C@@H]2[C@H]([C@@H]([C@H](CN2)O)O)O
• InChI: 1S/C8H14N4O3/c13-6-1-10-5(7(14)8(6)15)2-12-4-9-3-11-12/h3-8,10,13-15H,1-2H2/t5-,6+,7-,8-/m1/s1
• InChIKey: BXCCKZOVAGIRED-ULAWRXDQSA-N

Properties

• Density: 1.768g/cm³ (Cal.)
• Boiling point: 469.164°C at 760 mmHg (Cal.)
• Flash point: 237.542°C (Cal.)
• Refractive index: 1.763 (Cal.)