[2-(hydroxymethyl)-5-(3-oxidanyltetradecanoylamino)-3-sulfooxy-oxan-4-yl] tetradecanoate

Systemtic Name: [2-(hydroxymethyl)-5-(3-oxidanyltetradecanoylamino)-3-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-3-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-(hydroxymethyl)-5-[(3-hydroxy-1-oxotetradecyl)amino]-3-sulfooxy-4-oxanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-3-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [5-(3-hydroxytetradecanoylamino)-2-methylol-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C34H65NO10S MolecularWeight: 679.9456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(COC(C1OS(=O)(=O)O)CO)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(COC(C1OS(=O)(=O)O)CO)NC(=O)CC(CCCCCCCCCCC)O

InChI

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