[(2S,3R)-2-(octadecanoylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S,3R)-2-(octadecanoylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3R)-3-hydroxy-2-(1-oxooctadecylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3R)-3-hydroxy-2-stearamido-octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C41H85N2O6P MolecularWeight: 733.097161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1