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

Systemtic Name: [(2R,3S)-2-(icosylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R,3S)-3-hydroxy-2-(icosylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R,3S)-2-(eicosylamino)-3-hydroxyoctadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R,3S)-3-hydroxy-2-(icosylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R,3S)-2-(arachylamino)-3-hydroxy-octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H91N2O5P MolecularWeight: 747.166801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H91N2O5P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44-42(41-50-51(47,48)49-40-39-45(3,4)5)43(46)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h42-44,46H,6-41H2,1-5H3/t42-,43+/m1/s1