[(2R,3R,4S,5R,6R)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[3-tetradecoxy-2-(tetradecoxymethyl)propoxy]oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[3-tetradecoxy-2-(tetradecoxymethyl)propoxy]oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4S,5R,6R)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[3-tetradecoxy-2-(tetradecoxymethyl)propoxy]tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4S,5R,6R)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[3-tetradecoxy-2-(tetradecoxymethyl)propoxy]-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[3-tetradecoxy-2-(tetradecoxymethyl)propoxy]oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,5R,6R)-2-[3-myristyloxy-2-(myristyloxymethyl)propoxy]-3,5-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C38H76O20S4 MolecularWeight: 981.25804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)COC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C38H76O20S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-51-29-33(30-52-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-53-38-37(58-62(48,49)50)36(57-61(45,46)47)35(56-60(42,43)44)34(55-38)32-54-59(39,40)41/h33-38H,3-32H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/t34-,35-,36+,37-,38-/m1/s1