[(3R,4R,5R,6R)-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-4-tridecanoyloxy-oxan-3-yl] tetradecanoate

Systemtic Name: [(3R,4R,5R,6R)-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-4-tridecanoyloxy-oxan-3-yl] tetradecanoate Openeye Name: [(3R,4R,5R,6R)-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-4-tridecanoyloxy-tetrahydropyran-3-yl] tetradecanoate CAS Name: tetradecanoic acid [(3R,4R,5R,6R)-6-(methoxymethyl)-2-(methylthio)-4-(1-oxotridecoxy)-5-sulfooxy-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-4-tridecanoyloxyoxan-3-yl] tetradecanoate Traditional Name: myristic acid [(3R,4R,5R,6R)-6-(methoxymethyl)-2-(methylthio)-5-sulfoxy-4-tridecanoyloxy-tetrahydropyran-3-yl] ester Formula: C35H66O10S2 MolecularWeight: 711.02254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)COC)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](OC1SC)COC)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCC

InChI

InChI=1S/C35H66O10S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(37)44-34-33(32(45-47(38,39)40)29(28-41-3)42-35(34)46-4)43-30(36)26-24-22-20-18-16-14-12-10-8-6-2/h29,32-35H,5-28H2,1-4H3,(H,38,39,40)/t29-,32-,33+,34-,35?/m1/s1