N-4-Nitrobenzo-2-Oxa-1,3-Diazoledipalmitoyl Phosphatidylethanolamine
[CAS# 99684-86-3]

Identification

• Name: N-4-Nitrobenzo-2-Oxa-1,3-Diazoledipalmitoyl Phosphatidylethanolamine
• Synonyms: [1-(Hexadecanoyloxymethyl)-2-[Hydroxy-[2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethoxy]Phosphoryl]Oxy-Ethyl] Hexadecanoate; Hexadecanoic Acid [1-[[Hydroxy-[2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethoxy]Phosphoryl]Oxymethyl]-2-(1-Oxohexadecoxy)Ethyl]
• Molecular Formula: C₄₃H₇₅N₄O₁₁P
• Molecular Weight: 855.06
• CAS Registry Number: 99684-86-3
• SMILES: C2=C(C1=NON=C1C(=C2)[N+](=O)[O-])NCCO[P](OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)(O)=O
• InChI: 1S/C43H75N4O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(48)54-35-37(57-41(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-56-59(52,53)55-34-33-44-38-31-32-39(47(50)51)43-42(38)45-58-46-43/h31-32,37,44H,3-30,33-36H2,1-2H3,(H,52,53)
• InChIKey: ODWMPKRLTCWGFP-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 861.278°C at 760 mmHg (Cal.)
• Flash point: 474.684°C (Cal.)