(4R,5S,6S,7R)-5,6-Dihydroxy-1,3,4,7-Tetrakis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153223-23-5]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3,4,7-Tetrakis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-1,3,4,7-Tetrakis(Benzyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; 1,3-Diazepin-2-One Deriv.; (4R,5S,6S,7R)-Hexahydro-5,6-Dihydroxy-1,3,4,7-Tetrakisbenzyl-2H-1,3-Diazapin-2-One
• Molecular Formula: C₃₃H₃₄N₂O₃
• Molecular Weight: 506.64
• CAS Registry Number: 153223-23-5
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
• InChI: 1S/C33H34N2O3/c36-31-29(21-25-13-5-1-6-14-25)34(23-27-17-9-3-10-18-27)33(38)35(24-28-19-11-4-12-20-28)30(32(31)37)22-26-15-7-2-8-16-26/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1
• InChIKey: HZUCRWWOEVMAPC-ZRTHHSRSSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 698.423°C at 760 mmHg (Cal.)
• Flash point: 376.193°C (Cal.)