[3,4-disulfooxy-5-(sulfooxymethyl)-2-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl [5-(hydroxymethyl)-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfate

Systemtic Name: [3,4-disulfooxy-5-(sulfooxymethyl)-2-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl [5-(hydroxymethyl)-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfate Openeye Name: [3,4-dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl [3,4-disulfooxy-5-(sulfooxymethyl)-2-[3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl sulfate CAS Name: sulfuric acid [3,4-dihydroxy-5-(hydroxymethyl)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl [3,4-disulfooxy-5-(sulfooxymethyl)-2-[[3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl [3,4-disulfooxy-5-(sulfooxymethyl)-2-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl sulfate Traditional Name: sulfuric acid [3,4-dihydroxy-5-methylol-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl]methyl [3,4-disulfoxy-5-(sulfoxymethyl)-2-[3,4,5-trisulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H42O45S8 MolecularWeight: 1307.08328

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COS(=O)(=O)OCC3(C(C(C(O3)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O)O)O

Isomeric SMILES

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COS(=O)(=O)OCC3(C(C(C(O3)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O)O)O

InChI

InChI=1S/C24H42O45S8/c25-1-7-11(27)13(29)14(30)21(59-7)63-23(19(31)12(28)8(2-26)61-23)5-57-77(53,54)58-6-24(20(69-76(50,51)52)16(66-73(41,42)43)10(62-24)4-56-71(35,36)37)64-22-18(68-75(47,48)49)17(67-74(44,45)46)15(65-72(38,39)40)9(60-22)3-55-70(32,33)34/h7-22,25-31H,1-6H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)