(4S,5R,6R,7S)-5,6-Dihydroxy-1,3-Bis[[4-(Hydroxymethyl)Phenyl]Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 152344-10-0]

Identification

• Name: (4S,5R,6R,7S)-5,6-Dihydroxy-1,3-Bis[[4-(Hydroxymethyl)Phenyl]Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4S,5R,6R,7S)-4,7-Bis(Benzyl)-5,6-Dihydroxy-1,3-Bis(4-Methylolbenzyl)-1,3-Diazepan-2-One; 2H-1,3-Diazepin-2-One, Hexahydro-5,6-Dihydroxy-1,3-Bis((4-(Hydroxymethyl)Phenyl)Methyl)-4,7-Bis(Phenylmethyl)-, (4S-(4Alpha,5Alpha,6Beta,7Beta))-; Hexahydro-5,6-Bis(Hydroxy)-1,3-Bis((4-(Hydroxymethyl)Phenyl)Methyl)-4,7-Bis(Phenylmethyl)-2H-1,3-Diazepin-2-One
• Molecular Formula: C₃₅H₃₈N₂O₅
• Molecular Weight: 566.70
• CAS Registry Number: 152344-10-0
• 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)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5
• InChI: 1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m0/s1
• InChIKey: XCVGQMUMMDXKCY-PSWJWLENSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 798.626°C at 760 mmHg (Cal.)
• Flash point: 436.793°C (Cal.)