(4R,5S,6S,7R)-1,3-Dihexyl-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153181-39-6]

Identification

• Name: (4R,5S,6S,7R)-1,3-Dihexyl-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Dihexyl-5,6-Dihydroxy-1,3-Diazepan-2-One; Dmpc Cyclic Urea 31; Aids-033341
• Molecular Formula: C₃₁H₄₆N₂O₃
• Molecular Weight: 494.72
• CAS Registry Number: 153181-39-6
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CCCCCC)CCCCCC)CC3=CC=CC=C3
• InChI: 1S/C31H46N2O3/c1-3-5-7-15-21-32-27(23-25-17-11-9-12-18-25)29(34)30(35)28(24-26-19-13-10-14-20-26)33(31(32)36)22-16-8-6-4-2/h9-14,17-20,27-30,34-35H,3-8,15-16,21-24H2,1-2H3/t27-,28-,29+,30+/m1/s1
• InChIKey: YKPHAYCUAMAQPA-XAZDILKDSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 630.675°C at 760 mmHg (Cal.)
• Flash point: 335.22°C (Cal.)