S-[3-acetamido-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl] 2-tetradecylhexadecanethioate

Systemtic Name: S-[3-acetamido-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl] 2-tetradecylhexadecanethioate Openeye Name: S-[3-acetamido-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-tetradecylhexadecanethioate CAS Name: 2-tetradecylhexadecanethioic acid S-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: S-[3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] 2-tetradecylhexadecanethioate Traditional Name: 2-myristylhexadecanethioic acid S-(3-acetamido-5-hydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C38H73NO5S MolecularWeight: 656.05492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)SC1C(CC(C(O1)CO)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)SC1C(CC(C(O1)CO)O)NC(=O)C

InChI

InChI=1S/C38H73NO5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)37(43)45-38-34(39-32(3)41)30-35(42)36(31-40)44-38/h33-36,38,40,42H,4-31H2,1-3H3,(H,39,41)