N-(1-Pyrenesulfonyl)Dipalmitoyl-L-alpha-Phosphatidylethanolamine
[CAS# 76341-59-8]

Identification

• Name: N-(1-Pyrenesulfonyl)Dipalmitoyl-L-alpha-Phosphatidylethanolamine
• Synonyms: [(1R)-1-(Hexadecanoyloxymethyl)-2-[Hydroxy-[2-(Pyren-1-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxy-Ethyl] Hexadecanoate; Hexadecanoic Acid [(1R)-1-[[Hydroxy-[2-(1-Pyrenylsulfonylamino)Ethoxy]Phosphoryl]Oxymethyl]-2-(1-Oxohexadecoxy)Ethyl] Ester; Palmitic Acid [(1R)-1-(Hexadecanoyloxymethyl)-2-[Hydroxy-[2-(Pyren-1-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxy-Ethyl] Ester
• Molecular Formula: C₅₃H₈₂NO₁₀PS
• Molecular Weight: 956.27
• CAS Registry Number: 76341-59-8
• SMILES: [C@@H](COC(CCCCCCCCCCCCCCC)=O)(CO[P](=O)(OCCN[S](=O)(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34)O)OC(CCCCCCCCCCCCCCC)=O
• InChI: 1S/C53H82NO10PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-50(55)61-42-47(64-51(56)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-63-65(57,58)62-41-40-54-66(59,60)49-39-37-46-35-34-44-30-29-31-45-36-38-48(49)53(46)52(44)45/h29-31,34-39,47,54H,3-28,32-33,40-43H2,1-2H3,(H,57,58)/t47-/m1/s1
• InChIKey: CKTZFDWERAYORG-QZNUWAOFSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 941.334°C at 760 mmHg (Cal.)
• Flash point: 523.1°C (Cal.)