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

Systemtic Name: 6-[5-(hydroxymethyl)-4-sulfooxy-2-(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxy-oxane-2-carboxylic acid Openeye Name: 6-[5-(hydroxymethyl)-4-sulfooxy-2-(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[5-(hydroxymethyl)-4-sulfooxy-2-(sulfooxymethyl)-3-oxolanyl]oxy]-3,4,5-trisulfooxy-2-oxanecarboxylic acid IUPAC Name: 6-[5-(hydroxymethyl)-4-sulfooxy-2-(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxyoxane-2-carboxylic acid Traditional Name: 6-[5-methylol-4-sulfoxy-2-(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfoxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O26S5 MolecularWeight: 740.5966

Click to see the large picture

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

InChI

InChI=1S/C12H20O26S5/c13-1-3-6(35-40(19,20)21)5(4(32-3)2-31-39(16,17)18)33-12-10(38-43(28,29)30)8(37-42(25,26)27)7(36-41(22,23)24)9(34-12)11(14)15/h3-10,12-13H,1-2H2,(H,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)