[(2R)-3-Phosphonooxy-2-(6-Pyren-1-Ylhexanoyloxy)Propyl] Hexadecanoate
[CAS# 121496-64-8]

Identification

• Name: [(2R)-3-Phosphonooxy-2-(6-Pyren-1-Ylhexanoyloxy)Propyl] Hexadecanoate
• Synonyms: Hexadecanoic Acid [(2R)-2-[1-Oxo-6-(1-Pyrenyl)Hexoxy]-3-Phosphonooxypropyl] Ester; Palmitic Acid [(2R)-3-Phosphonooxy-2-(6-Pyren-1-Ylhexanoyloxy)Propyl] Ester; 1-Palmitoyl-2-(6-(Pyren-1-Yl)Hexanoyl)-Sn-Glycero-3-Phosphatidic Acid
• Molecular Formula: C₄₁H₅₇O₈P
• Molecular Weight: 708.87
• CAS Registry Number: 121496-64-8
• SMILES: [C@@H](OC(CCCCCC4=C1C=CC2=CC=CC3=CC=C(C1=C23)C=C4)=O)(COC(CCCCCCCCCCCCCCC)=O)CO[P](=O)(O)O
• InChI: 1S/C41H57O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-38(42)47-30-36(31-48-50(44,45)46)49-39(43)23-17-14-15-19-32-24-25-35-27-26-33-20-18-21-34-28-29-37(32)41(35)40(33)34/h18,20-21,24-29,36H,2-17,19,22-23,30-31H2,1H3,(H2,44,45,46)/t36-/m1/s1
• InChIKey: JYNFQYDPRYWMPF-PSXMRANNSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 813.426°C at 760 mmHg (Cal.)
• Flash point: 445.744°C (Cal.)