(4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Dimethyl-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153181-38-5]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Dimethyl-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-1,3-Dimethyl-1,3-Diazepan-2-One; Aids-033336; Aids033336
• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.45
• CAS Registry Number: 153181-38-5
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)C)C)CC3=CC=CC=C3
• InChI: 1S/C21H26N2O3/c1-22-17(13-15-9-5-3-6-10-15)19(24)20(25)18(23(2)21(22)26)14-16-11-7-4-8-12-16/h3-12,17-20,24-25H,13-14H2,1-2H3/t17-,18-,19+,20+/m1/s1
• InChIKey: AJVZFVAMCBQKPD-ZRNYENFQSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 530.858°C at 760 mmHg (Cal.)
• Flash point: 274.853°C (Cal.)