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

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-5-sulfooxy-2-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-5-sulfooxy-2-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxotetradecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-5-sulfooxy-2-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-aminooxy-6-methylol-5-sulfoxy-2-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] ester Formula: C48H91NO12S MolecularWeight: 906.30064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)ON

InChI

InChI=1S/C48H91NO12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-44(51)57-41(36-33-30-27-24-21-18-15-12-9-6-3)47(53)48(61-49)39-42(46(43(40-50)59-48)60-62(54,55)56)58-45(52)38-35-32-29-26-23-20-17-14-11-8-5-2/h41-43,46,50H,4-40,49H2,1-3H3,(H,54,55,56)