6-[4,5-bis(hydroxymethyl)-2-sulfooxy-oxolan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[4,5-bis(hydroxymethyl)-2-sulfooxy-oxolan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[4,5-bis(hydroxymethyl)-2-sulfooxy-tetrahydrofuran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[4,5-bis(hydroxymethyl)-2-sulfooxy-3-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-(4,5-dimethylol-2-sulfoxy-tetrahydrofuran-3-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O14S MolecularWeight: 420.3438

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(OC(C1OC2C(C(C(C(O2)C(=O)O)O)O)O)OS(=O)(=O)O)CO)O

Isomeric SMILES

C(C1C(OC(C1OC2C(C(C(C(O2)C(=O)O)O)O)O)OS(=O)(=O)O)CO)O

InChI

InChI=1S/C12H20O14S/c13-1-3-4(2-14)23-12(26-27(20,21)22)8(3)24-11-7(17)5(15)6(16)9(25-11)10(18)19/h3-9,11-17H,1-2H2,(H,18,19)(H,20,21,22)