(4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Dipentyl-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153181-48-7]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Dipentyl-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-1,3-Diamyl-4,7-Bis(Benzyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; Aids-033340; Aids033340
• Molecular Formula: C₂₉H₄₂N₂O₃
• Molecular Weight: 466.66
• CAS Registry Number: 153181-48-7
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CCCCC)CCCCC)CC3=CC=CC=C3
• InChI: 1S/C29H42N2O3/c1-3-5-13-19-30-25(21-23-15-9-7-10-16-23)27(32)28(33)26(22-24-17-11-8-12-18-24)31(29(30)34)20-14-6-4-2/h7-12,15-18,25-28,32-33H,3-6,13-14,19-22H2,1-2H3/t25-,26-,27+,28+/m1/s1
• InChIKey: MQXUJTOWJYVUBG-VIJSPRBVSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 610.972°C at 760 mmHg (Cal.)
• Flash point: 323.305°C (Cal.)