[2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-5-sulfooxy-oxan-4-yl] tetradecanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-5-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid (2-aminooxy-3-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl) ester Formula: C20H39NO10S MolecularWeight: 485.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)ON)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)ON)O

InChI

InChI=1S/C20H39NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)29-19-17(24)20(30-21)28-15(14-22)18(19)31-32(25,26)27/h15,17-20,22,24H,2-14,21H2,1H3,(H,25,26,27)