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

Systemtic Name: [(2S,3R)-2-(hexacosanoylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3R)-2-(hexacosanoylamino)-3-hydroxy-octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3R)-3-hydroxy-2-(1-oxohexacosylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3R)-2-(hexacosanoylamino)-3-hydroxy-octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C49H101N2O6P MolecularWeight: 845.309801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H101N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h47-48,52H,6-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1