(4R,5S,6S,7R)-1,3-Bis[(3-Fluorophenyl)Methyl]-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153182-42-4]

Identification

• Name: (4R,5S,6S,7R)-1,3-Bis[(3-Fluorophenyl)Methyl]-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Bis(3-Fluorobenzyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; Aids-033354; Aids033354
• Molecular Formula: C₃₃H₃₂F₂N₂O₃
• Molecular Weight: 542.62
• CAS Registry Number: 153182-42-4
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3=CC(=CC=C3)F)CC4=CC=CC(=C4)F)CC5=CC=CC=C5
• InChI: 1S/C33H32F2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1
• InChIKey: DORNGHWKRMVHHU-ZRTHHSRSSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 695.568°C at 760 mmHg (Cal.)
• Flash point: 374.466°C (Cal.)