[(2S)-2-[Bis[(2S)-2-Methylaziridin-1-Yl]Phosphorylamino]Propyl] (12S)-12-Hydroxyoctadecanoate
[CAS# 72929-03-4]

Identification

• Name: [(2S)-2-[Bis[(2S)-2-Methylaziridin-1-Yl]Phosphorylamino]Propyl] (12S)-12-Hydroxyoctadecanoate
• Synonyms: (12S)-12-Hydroxyoctadecanoic Acid [(2S)-2-[Bis[(2S)-2-Methyl-1-Aziridinyl]Phosphorylamino]Propyl] Ester; (12S)-12-Hydroxystearic Acid [(2S)-2-[Bis[(2S)-2-Methylethylenimin-1-Yl]Phosphorylamino]Propyl] Ester; Octadecanoic Acid, 12-Hydroxy-, 2-((Bis(2-Methyl-1-Aziridinyl)Phosphinyl)Amino)Propyl Ester
• Molecular Formula: C₂₇H₅₄N₃O₄P
• Molecular Weight: 515.72
• CAS Registry Number: 72929-03-4
• SMILES: [C@H](COC(=O)CCCCCCCCCC[C@@H](O)CCCCCC)(N[P@@](=O)(N1[C@@H](C)C1)N2[C@@H](C)C2)C
• InChI: 1S/C27H54N3O4P/c1-5-6-7-14-17-26(31)18-15-12-10-8-9-11-13-16-19-27(32)34-22-23(2)28-35(33,29-20-24(29)3)30-21-25(30)4/h23-26,31H,5-22H2,1-4H3,(H,28,33)/t23-,24-,25-,26-,29?,30?,35?/m0/s1
• InChIKey: XQCRETOCUWOCEQ-CFAPVWQISA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 595.525°C at 760 mmHg (Cal.)
• Flash point: 313.962°C (Cal.)