Analyte Name

[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate

CAS Number

88542-95-4

Molecular Formula

C42H82NO7P

Molecular Weight

744.08

Accurate Mass

743.5829

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(O[C@H](COCCCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O

InChI

InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/b16-14-,22-20-/t41-/m1/s1

IUPAC

[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate

Country of Origin

CANADA

Product Format

Neat