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

Systemtic Name: [(2S,3R)-3-oxidanyl-2-(tetracosanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3R)-3-hydroxy-2-(1-oxotetracosylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C47H97N2O6P MolecularWeight: 817.256641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1