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

Systemtic Name: [(2S,3R)-2-(icosanoylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3R)-3-hydroxy-2-(icosanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3R)-3-hydroxy-2-(1-oxoeicosylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3R)-3-hydroxy-2-(icosanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3R)-2-(eicosanoylamino)-3-hydroxy-octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H89N2O6P MolecularWeight: 761.150321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h41-42,46H,6-40H2,1-5H3,(H-,44,47,48,49)/t41-,42+/m0/s1