N-(12-((1-Pyrenesulfonyl)Amido)Dodecanoyl)Sphingosylphosphorylcholine
[CAS# 118578-43-1]

Identification

• Name: N-(12-((1-Pyrenesulfonyl)Amido)Dodecanoyl)Sphingosylphosphorylcholine
• Synonyms: [(E,2S,3R)-3-Hydroxy-2-[12-(Pyren-1-Ylsulfonylamino)Dodecanoylamino]Heptadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-3-Hydroxy-2-[[1-Oxo-12-(1-Pyrenylsulfonylamino)Dodecyl]Amino]Heptadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; Psa12-Spm
• Molecular Formula: C₅₀H₇₈N₃O₈PS
• Molecular Weight: 912.22
• CAS Registry Number: 118578-43-1
• SMILES: [C@@H](NC(=O)CCCCCCCCCCCN[S](=O)(=O)C3=C4C2=C1C(=CC=CC1=CC=C2C=C3)C=C4)([C@H](O)\C=C\CCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C50H78N3O8PS/c1-5-6-7-8-9-10-11-12-14-17-20-23-29-46(54)45(40-61-62(56,57)60-39-38-53(2,3)4)52-48(55)30-24-21-18-15-13-16-19-22-25-37-51-63(58,59)47-36-34-43-32-31-41-27-26-28-42-33-35-44(47)50(43)49(41)42/h23,26-29,31-36,45-46,51,54H,5-22,24-25,30,37-40H2,1-4H3,(H-,52,55,56,57)/b29-23+/t45-,46+/m0/s1
• InChIKey: COBJOSMZOADPGU-UHCPMHAVSA-N