(4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Bis[(4-Methylphenyl)Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153182-46-8]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Bis[(4-Methylphenyl)Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-1,3-Bis(4-Methylbenzyl)-1,3-Diazepan-2-One; 2H-1,3-Diazepin-2-One, Hexahydro-5,6-Dihydroxy-1,3-Bis((4-Methylphenyl)Methyl)-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-; 2H-1,3-Diazepin-2-One, Hexahydro-5,6-Dihydroxy-1,3-Bis[(4-Methylphenyl)Methyl]-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-
• Molecular Formula: C₃₅H₃₈N₂O₃
• Molecular Weight: 534.70
• CAS Registry Number: 153182-46-8
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3=CC=C(C=C3)C)CC4=CC=C(C=C4)C)CC5=CC=CC=C5
• InChI: 1S/C35H38N2O3/c1-25-13-17-29(18-14-25)23-36-31(21-27-9-5-3-6-10-27)33(38)34(39)32(22-28-11-7-4-8-12-28)37(35(36)40)24-30-19-15-26(2)16-20-30/h3-20,31-34,38-39H,21-24H2,1-2H3/t31-,32-,33+,34+/m1/s1
• InChIKey: VCEGGCOXLZWFIB-WZJLIZBTSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 717.071°C at 760 mmHg (Cal.)
• Flash point: 387.471°C (Cal.)