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

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-3-sulfooxy-5-(tetradecanoylamino)oxan-4-yl] tetradecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-3-(tetradecanoylamino)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-hydroxy-6-(hydroxymethyl)-3-(1-oxotetradecylamino)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-3-(tetradecanoylamino)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-hydroxy-6-methylol-5-sulfoxy-3-(tetradecanoylamino)tetrahydropyran-4-yl] ester Formula: C34H65NO10S MolecularWeight: 679.9456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C34H65NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(37)35-31-33(32(45-46(40,41)42)28(27-36)43-34(31)39)44-30(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h28,31-34,36,39H,3-27H2,1-2H3,(H,35,37)(H,40,41,42)