[(2R)-1-Hexadecanoyloxy-3-[Hydroxy-[2-(Pyren-2-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxypropan-2-Yl] Hexadecanoate
[CAS# 74555-72-9]

Identification

• Name: [(2R)-1-Hexadecanoyloxy-3-[Hydroxy-[2-(Pyren-2-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxypropan-2-Yl] Hexadecanoate
• Synonyms: [(1R)-1-(Hexadecanoyloxymethyl)-2-[Hydroxy-[2-(Pyren-2-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxy-Ethyl] Hexadecanoate; Hexadecanoic Acid [(1R)-1-[[Hydroxy-[2-(2-Pyrenylsulfonylamino)Ethoxy]Phosphoryl]Oxymethyl]-2-(1-Oxohexadecoxy)Ethyl] Ester; Palmitic Acid [(1R)-1-(Hexadecanoyloxymethyl)-2-[Hydroxy-[2-(Pyren-2-Ylsulfonylamino)Ethoxy]Phosphoryl]Oxy-Ethyl] Ester
• Molecular Formula: C₅₃H₈₂NO₁₀PS
• Molecular Weight: 956.27
• CAS Registry Number: 74555-72-9
• SMILES: [C@@H](COC(CCCCCCCCCCCCCCC)=O)(CO[P](=O)(OCCN[S](=O)(=O)C1=CC2=CC=C3C=CC=C4C=CC(=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)61-42-48(64-51(56)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-63-65(57,58)62-39-38-54-66(59,60)49-40-46-36-34-44-30-29-31-45-35-37-47(41-49)53(46)52(44)45/h29-31,34-37,40-41,48,54H,3-28,32-33,38-39,42-43H2,1-2H3,(H,57,58)/t48-/m1/s1
• InChIKey: UJLCBUUYFXOGBG-QSCHNALKSA-N

Properties

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