(1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol
[CAS# 88287-77-8]

Identification

• Name: (1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol
• Synonyms: 4-Amino-3-(2,3,5-tri-O-benzyl-β-ribofuranosyl)-5-pyrazole carbonitrile; Atrp carbonitrile
• Molecular Formula: C₃₀H₃₀N₄O₄
• Molecular Weight: 510.58
• CAS Registry Number: 88287-77-8
• SMILES: N#Cc1nnc(c1N)[C@@H]5O[C@H](COCc2ccccc2)[C@@H](OCc3ccccc3)[C@H]5OCc4ccccc4
• InChI: 1S/C30H30N4O4/c31-16-24-26(32)27(34-33-24)29-30(37-19-23-14-8-3-9-15-23)28(36-18-22-12-6-2-7-13-22)25(38-29)20-35-17-21-10-4-1-5-11-21/h1-15,25,28-30H,17-20,32H2,(H,33,34)/t25-,28-,29+,30-/m1/s1
• InChIKey: HUBWHNUTIGYFNI-VFKOLLTISA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 708.521°C at 760 mmHg (Cal.)
• Flash point: 382.3°C (Cal.)