2.0 2015-06-30 15:22:55 -0600 2015-08-05 16:22:05 -0600 ECMDB23907 M2MDB006009 Sulfoquinovose An organosulfonate oxoanion that is the conjugate base of 6-sulfoquinovose, obtained by deprotonation of the sulfonate OH group; major species at pH 7.3. 6-Deoxy-6-sulfO-D-glucopyranose 6-Deoxy-6-sulfO-D-glucose 6-Deoxy-6-sulphO-D-glucopyranose 6-Deoxy-6-sulphO-D-glucose Sulphoquinovose C6H12O8S 244.21 244.02528852 [(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid sulfoquinovose 3458-06-8 OC1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 QFBWOLBPVQLZEH-GASJEMHNSA-N logp -2.14 ALOGPS logs -0.03 ALOGPS solubility 2.28e+02 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid ChemAxon average_mass 244.21 ChemAxon mono_mass 244.02528852 ChemAxon smiles OC1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C6H12O8S ChemAxon inchi InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 ChemAxon inchikey QFBWOLBPVQLZEH-GASJEMHNSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 44.32 ChemAxon polarizability 20.64 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 26486 Specdb::MsMs 26487 Specdb::MsMs 26488 Specdb::MsMs 33044 Specdb::MsMs 33045 Specdb::MsMs 33046 C20829 Sulfoquinovose isomerase P32140 SQUS_ECOLI yihS http://ecmdb.ca/proteins/P32140.xml Sulfoquinovose <> 6-Deoxy-6-sulfo-D-fructose R10765