(4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Bis(4-Methylpentyl)-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153181-49-8]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Bis(4-Methylpentyl)-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-Diisohexyl-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One; (4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-1,3-Diisohexyl-1,3-Diazepan-2-One; 2H-1,3-Diazepin-2-One, Hexahydro-5,6-Dihydroxy-1,3-Bis(4-Methylpentyl)-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-
• Molecular Formula: C₃₁H₄₆N₂O₃
• Molecular Weight: 494.72
• CAS Registry Number: 153181-49-8
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CCCC(C)C)CCCC(C)C)CC3=CC=CC=C3
• InChI: 1S/C31H46N2O3/c1-23(2)13-11-19-32-27(21-25-15-7-5-8-16-25)29(34)30(35)28(22-26-17-9-6-10-18-26)33(31(32)36)20-12-14-24(3)4/h5-10,15-18,23-24,27-30,34-35H,11-14,19-22H2,1-4H3/t27-,28-,29+,30+/m1/s1
• InChIKey: LYOGIXRQACPKHV-XAZDILKDSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 622.897°C at 760 mmHg (Cal.)
• Flash point: 330.517°C (Cal.)