[6-(hydroxymethyl)-4-methoxy-2-[6-methyl-4-oxidanyl-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-oxidanyl-oxan-3-yl] hydrogen sulfate

Systemtic Name: [6-(hydroxymethyl)-4-methoxy-2-[6-methyl-4-oxidanyl-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-oxidanyl-oxan-3-yl] hydrogen sulfate Openeye Name: [4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-2-methyl-6-(sulfooxymethyl)tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [4-hydroxy-5-[[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-sulfooxy-2-oxanyl]oxy]-2-methyl-6-(sulfooxymethyl)-3-oxanyl] ester IUPAC Name: [4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-sulfooxyoxan-2-yl]oxy-2-methyl-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-hydroxy-5-(5-hydroxy-4-methoxy-6-methylol-3-sulfoxy-tetrahydropyran-2-yl)oxy-2-methyl-6-(sulfoxymethyl)tetrahydropyran-3-yl] ester Formula: C14H26O19S3 MolecularWeight: 594.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)CO)O)OC)OS(=O)(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

CC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)CO)O)OC)OS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H26O19S3/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)