2.0 2015-06-30 15:22:53 -0600 2015-08-05 16:22:05 -0600 ECMDB23906 M2MDB006008 6-Deoxy-6-sulfo-D-fructose 1-phosphate A carbohydrate sulfonate that is D-fructofuranose-1-phosphate in which the hydroxy group at at position 6 is replaced by a sulfo group 6-Deoxy-6-sulfO-D-fructofuranose 1-phosphate 6-Deoxy-6-sulfO-D-fructofuranose 1-phosphoric acid 6-Deoxy-6-sulfO-D-fructose 1-phosphate 6-Deoxy-6-sulfO-D-fructose 1-phosphoric acid 6-Deoxy-6-sulfofructose 1-phosphate 6-Deoxy-6-sulfofructose 1-phosphoric acid 6-Deoxy-6-sulphO-D-fructofuranose 1-phosphate 6-Deoxy-6-sulphO-D-fructofuranose 1-phosphoric acid 6-Deoxy-6-sulphO-D-fructose 1-phosphate 6-Deoxy-6-sulphO-D-fructose 1-phosphoric acid 6-Deoxy-6-sulphofructose 1-phosphate 6-Deoxy-6-sulphofructose 1-phosphoric acid C6H13O11PS 324.19 323.991619411 [(2S,3S,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methanesulfonic acid [(2S,3S,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methanesulfonic acid O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1CS(O)(=O)=O InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1 IZVMCURFIBVEOJ-VRPWFDPXSA-N logp -1.86 ALOGPS logs -0.98 ALOGPS solubility 3.41e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic -1.2 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [(2S,3S,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methanesulfonic acid ChemAxon average_mass 324.19 ChemAxon mono_mass 323.991619411 ChemAxon smiles O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1CS(O)(=O)=O ChemAxon formula C6H13O11PS ChemAxon inchi InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1 ChemAxon inchikey IZVMCURFIBVEOJ-VRPWFDPXSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 55.63 ChemAxon polarizability 24.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086058 Specdb::MsMs 29711 Specdb::MsMs 29712 Specdb::MsMs 29713 Specdb::MsMs 36269 Specdb::MsMs 36270 Specdb::MsMs 36271 C20831 Sulfofructosephosphate aldolase P32141 SQUT_ECOLI yihT http://ecmdb.ca/proteins/P32141.xml 6-Deoxy-6-sulfo-D-fructose 1-phosphate <> Dihydroxyacetone phosphate + 2-Hydroxy-3-oxopropane-1-sulfonate R10760