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

Systemtic Name: [(2S,3R)-3-oxidanyl-2-(tetradecanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3R)-3-hydroxy-2-(1-oxotetradecylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H77N2O6P MolecularWeight: 676.990841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h35-36,40H,6-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1