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

Systemtic Name: [2-(hydroxymethyl)-5-(octadecanoylamino)-6-oxidanyl-3-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(octadecanoylamino)-5-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-hydroxy-6-(hydroxymethyl)-3-(1-oxooctadecylamino)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-(octadecanoylamino)-5-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid (2-hydroxy-6-methylol-3-stearamido-5-sulfoxy-tetrahydropyran-4-yl) ester Formula: C38H73NO10S MolecularWeight: 736.05192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H73NO10S/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-33(41)39-35-37(36(49-50(44,45)46)32(31-40)47-38(35)43)48-34(42)30-28-26-24-22-19-14-12-10-8-6-4-2/h32,35-38,40,43H,3-31H2,1-2H3,(H,39,41)(H,44,45,46)