3-{[(2R)-3-Methoxy-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyl dihexadecanoate
[CAS# 87079-94-5]

Identification

• Name: 3-{[(2R)-3-Methoxy-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyl dihexadecanoate
• Synonyms: L-Cysteine, S-(2,3-bis((1-oxohexadecyl)oxy)propyl)-N-(1-oxohexadecyl)-, methyl ester
• Molecular Formula: C₅₅H₁₀₅NO₇S
• Molecular Weight: 924.49
• CAS Registry Number: 87079-94-5
• SMILES: O=C(OC(CSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)OC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
• InChI: 1S/C55H105NO7S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-52(57)56-51(55(60)61-4)49-64-48-50(63-54(59)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)47-62-53(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h50-51H,5-49H2,1-4H3,(H,56,57)/t50?,51-/m0/s1
• InChIKey: BKXQBXXALHYQKZ-NPGUAINNSA-N

Properties

• Density: 0.956g/cm³ (Cal.)
• Boiling point: 886.274°C at 760 mmHg (Cal.)
• Flash point: 489.801°C (Cal.)