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

Systemtic Name: [(2R,3R,4S,5S,6R)-2-(3-docosoxypropoxy)-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4S,5S,6R)-2-(3-docosoxypropoxy)-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4S,5S,6R)-2-(3-docosoxypropoxy)-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-(3-docosoxypropoxy)-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,5S,6R)-2-(3-behenyloxypropoxy)-3,5-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C31H62O19S4 MolecularWeight: 867.07258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOCCCOC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOCCCO[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/C31H62O19S4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-44-24-22-25-45-31-30(50-54(41,42)43)29(49-53(38,39)40)28(48-52(35,36)37)27(47-31)26-46-51(32,33)34/h27-31H,2-26H2,1H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)/t27-,28+,29+,30-,31-/m1/s1