[(2R)-2-(octadecanoylamino)-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-(octadecanoylamino)-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-(octadecanoylamino)-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-3-(1-oxooctadecoxy)-2-(1-oxooctadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-(octadecanoylamino)-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-stearamido-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H89N2O7P MolecularWeight: 789.160421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C44H89N2O7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(47)45-42(41-53-54(49,50)52-39-38-46(3,4)5)40-51-44(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3,(H-,45,47,49,50)/t42-/m1/s1