[(2R)-3-decanoyloxy-2-henicosanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-3-decanoyloxy-2-henicosanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-3-decanoyloxy-2-henicosanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-3-(1-oxodecoxy)-2-(1-oxoheneicosoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-3-decanoyloxy-2-henicosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-3-capryloxy-2-heneicosanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H78NO8P MolecularWeight: 720.012281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C39H78NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1