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

Systemtic Name: 6-[5-(hydroxymethyl)-4-oxidanyl-2-(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxy-oxane-2-carboxylic acid Openeye Name: 6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)-3-oxolanyl]oxy]-3,4,5-trisulfooxy-2-oxanecarboxylic acid IUPAC Name: 6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxyoxane-2-carboxylic acid Traditional Name: 6-[4-hydroxy-5-methylol-2-(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfoxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O23S4 MolecularWeight: 660.5334

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)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)O)O

InChI

InChI=1S/C12H20O23S4/c13-1-3-5(14)6(4(30-3)2-29-36(17,18)19)31-12-10(35-39(26,27)28)8(34-38(23,24)25)7(33-37(20,21)22)9(32-12)11(15)16/h3-10,12-14H,1-2H2,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)