[(2R)-3-hexadecanoyloxy-2-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-3-hexadecanoyloxy-2-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-3-hexadecanoyloxy-2-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-hexadecoxy-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-3-hexadecanoyloxy-2-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-cetyloxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C40H82NO7P MolecularWeight: 720.055341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1