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

Systemtic Name: 6-[5-(hydroxymethyl)-2,4-bis(sulfooxymethyl)oxolan-3-yl]oxy-3-oxidanyl-4,5-disulfooxy-oxane-2-carboxylic acid Openeye Name: 3-hydroxy-6-[5-(hydroxymethyl)-2,4-bis(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-4,5-disulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-hydroxy-6-[[5-(hydroxymethyl)-2,4-bis(sulfooxymethyl)-3-oxolanyl]oxy]-4,5-disulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-hydroxy-6-[5-(hydroxymethyl)-2,4-bis(sulfooxymethyl)oxolan-3-yl]oxy-4,5-disulfooxyoxane-2-carboxylic acid Traditional Name: 3-hydroxy-6-[5-methylol-2,4-bis(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-4,5-disulfoxy-tetrahydropyran-2-carboxylic acid Formula: C13H22O23S4 MolecularWeight: 674.55998

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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)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H22O23S4/c14-1-5-4(2-30-37(18,19)20)8(6(32-5)3-31-38(21,22)23)33-13-11(36-40(27,28)29)9(35-39(24,25)26)7(15)10(34-13)12(16)17/h4-11,13-15H,1-3H2,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)