(2R)-3-[(Hydroxy{2-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Ethoxy}Phosphoryl)Oxy]-2-[(9E)-9-Octadecenoyloxy]Propyl (9E)-9-Octadecenoate
[CAS# 137819-86-4]

Identification

• Name: (2R)-3-[(Hydroxy{2-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Ethoxy}Phosphoryl)Oxy]-2-[(9E)-9-Octadecenoyloxy]Propyl (9E)-9-Octadecenoate
• Synonyms: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 7-nitrobenzofurazan-labeled; L-β,γ-Dioleoyl-α-cephaline, 7-nitrobenzofurazan-labeled; N-(7-Nitrobenzofurazan-4-yl)-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
• Molecular Formula: C₄₇H₇₉N₄O₁₁P
• Molecular Weight: 907.12
• CAS Registry Number: 137819-86-4
• SMILES: O=C(OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OCCNc1ccc(c2nonc12)[N+]([O-])=O)CCCCCCC/C=C/CCCCCCCC
• InChI: 1S/C47H79N4O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(52)58-39-41(61-45(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-60-63(56,57)59-38-37-48-42-35-36-43(51(54)55)47-46(42)49-62-50-47/h17-20,35-36,41,48H,3-16,21-34,37-40H2,1-2H3,(H,56,57)/b19-17+,20-18+/t41-/m1/s1
• InChIKey: RKWFXILULDJZBB-JJYVMECISA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 891.9°C at 760 mmHg (Cal.)
• Flash point: 493.2°C (Cal.)
• Refractive index: 1.525 (Cal.)