[(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R,5S)-5-heptadecyl-1,4-dioxan-2-yl]methyl 2-(trimethylammonio)ethyl phosphate Formula: C27H56NO6P MolecularWeight: 521.710401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1COC(CO1)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@H]1CO[C@H](CO1)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C27H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-32-27(24-31-26)25-34-35(29,30)33-22-21-28(2,3)4/h26-27H,5-25H2,1-4H3/t26-,27+/m0/s1