6-[5-(hydroxymethyl)-4-oxidanyl-2-(sulfooxymethyl)oxolan-3-yl]oxy-4-oxidanyl-3,5-disulfooxy-oxane-2-carboxylic acid

Systemtic Name: 6-[5-(hydroxymethyl)-4-oxidanyl-2-(sulfooxymethyl)oxolan-3-yl]oxy-4-oxidanyl-3,5-disulfooxy-oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-3,5-disulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-[[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)-3-oxolanyl]oxy]-3,5-disulfooxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-3,5-disulfooxyoxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-[4-hydroxy-5-methylol-2-(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-3,5-disulfoxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O20S3 MolecularWeight: 580.4702

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O

Isomeric SMILES

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C12H20O20S3/c13-1-3-5(14)7(4(28-3)2-27-33(18,19)20)29-12-9(32-35(24,25)26)6(15)8(31-34(21,22)23)10(30-12)11(16)17/h3-10,12-15H,1-2H2,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)