[(2S,3S)-3-hexadecylsulfanyloxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S,3S)-3-hexadecylsulfanyloxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3S)-3-hexadecylsulfanyltetrahydropyran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3S)-3-(hexadecylthio)-2-oxanyl]methyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3S)-3-hexadecylsulfanyloxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3S)-3-(cetylthio)tetrahydropyran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate Formula: C27H56NO5PS MolecularWeight: 537.776001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1CCCOC1COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS[C@H]1CCCO[C@H]1COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C27H56NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-35-27-20-19-22-31-26(27)25-33-34(29,30)32-23-21-28(2,3)4/h26-27H,5-25H2,1-4H3/t26-,27-/m0/s1