2.0 2012-07-30 14:54:47 -0600 2015-06-03 17:20:49 -0600 ECMDB21179 M2MDB001588 6-Acetyl-D-glucose 6-Acetyl-D-glucose is an acetylated form of glucose. It is a substrate of 6-acetylglucose deacetylase (EC 3.1.1.33) and Maltose O-acetyltransferase (EC 2.3.1.79) 6-Acetyl-D-glucose 6-O-Acetyl-D-glucopyranose C8H14O7 222.1926 222.073952802 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl acetate 6-O-acetyl β-D-glucose CC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C8H14O7/c1-3(9)14-2-4-5(10)6(11)7(12)8(13)15-4/h4-8,10-13H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1 ILLOJQCWUBEHBA-JAJWTYFOSA-N Cytosol logp -1.99 ALOGPS logs 0.22 ALOGPS solubility 3.72e+02 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 11.3 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl acetate ChemAxon average_mass 222.1926 ChemAxon mono_mass 222.073952802 ChemAxon smiles CC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C8H14O7 ChemAxon inchi InChI=1S/C8H14O7/c1-3(9)14-2-4-5(10)6(11)7(12)8(13)15-4/h4-8,10-13H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1 ChemAxon inchikey ILLOJQCWUBEHBA-JAJWTYFOSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 45.07 ChemAxon polarizability 20.16 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1085167 Specdb::NmrOneD 326922 Specdb::NmrOneD 326923 Specdb::NmrOneD 326924 Specdb::NmrOneD 326925 Specdb::NmrOneD 326926 Specdb::NmrOneD 326927 Specdb::NmrOneD 326928 Specdb::NmrOneD 326929 Specdb::NmrOneD 326930 Specdb::NmrOneD 326931 Specdb::NmrOneD 326932 Specdb::NmrOneD 326933 Specdb::NmrOneD 326934 Specdb::NmrOneD 326935 Specdb::NmrOneD 326936 Specdb::NmrOneD 326937 Specdb::NmrOneD 326938 Specdb::NmrOneD 326939 Specdb::NmrOneD 326940 Specdb::NmrOneD 326941 Specdb::MsMs 27635 Specdb::MsMs 27636 Specdb::MsMs 27637 Specdb::MsMs 34193 Specdb::MsMs 34194 Specdb::MsMs 34195 439780 388835 C02655 17901 CPD-522 Maltose O-acetyltransferase P77791 MAA_ECOLI maa http://ecmdb.ca/proteins/P77791.xml Acetyl-CoA + D-Glucose <> 6-Acetyl-D-glucose + Coenzyme A