1.0 2018-06-25 21:50:50 UTC 2020-03-13 17:33:40 UTC BMDB0062102 BMDB62102 Methyl alpha-D-glucopyranoside Methyl alpha-D-glucopyranoside, also known as alpha-methyl-D-glucoside or 1-O-methyl-alpha-D-glucoside, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Methyl alpha-D-glucopyranoside is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-O-Methyl-alpha-D-glucopyranose 1-O-Methyl-alpha-D-glucopyranoside 1-O-Methyl-alpha-D-glucoside alpha-D-Methyl glucoside alpha-Methyl D-glucose ether alpha-Methyl-D-glucoside alpha-Methylglucoside Me alpha-GLC Methyl alpha-D-glucoside Methyl hexopyranoside 1-O-Methyl-a-D-glucopyranose 1-O-Methyl-α-D-glucopyranose 1-O-Methyl-a-D-glucopyranoside 1-O-Methyl-α-D-glucopyranoside 1-O-Methyl-a-D-glucoside 1-O-Methyl-α-D-glucoside a-D-Methyl glucoside Α-D-methyl glucoside a-Methyl D-glucose ether Α-methyl D-glucose ether a-Methyl-D-glucoside Α-methyl-D-glucoside a-Methylglucoside Α-methylglucoside Me a-GLC Me α-GLC Methyl a-D-glucoside Methyl α-D-glucoside Methyl a-D-glucopyranoside Methyl α-D-glucopyranoside Methyl-D-glucoside Methylglucoside, 13C-labeled alpha-Methyl-D-glucopyranoside Methyl-alpha-glucopyranoside Methyl D-glucoside Methyl D-glucopyranoside Methyl glucose Methylglucoside, 6-(13)C-labeled Methyl-alpha-D-glucoside 1-O-Methylglucose D-Glucoside, methyl beta-Methylglucoside Methylglucoside, 2H-labeled, (beta-D)-isomer Methyl beta-D-glucopyranoside Methylglucoside, (alpha-D)-isomer Methylglucoside, 13C-labeled, (beta-D)-isomer Methylglucoside, 6-(17)O-labeled, (alpha-L)-isomer AlphaMG alpha-Methylglucose Methylglucoside, (beta-D)-isomer beta-Methyl-D-glucoside Methylglucoside, 5-(17)O-labeled Methylglucoside C7H14O6 194.1825 194.07903818 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol methyl α-D-glucopyranoside 97-30-3 [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC)[C@]1([H])O InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1 HOVAGTYPODGVJG-ZFYZTMLRSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl compounds Acetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds alpha-D-glucoside methyl D-glucoside logp -2.49 ALOGPS logs 0.65 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol ChemAxon average_mass 194.1825 ChemAxon mono_mass 194.07903818 ChemAxon smiles [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC)[C@]1([H])O ChemAxon formula C7H14O6 ChemAxon inchi InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1 ChemAxon inchikey HOVAGTYPODGVJG-ZFYZTMLRSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 40.67 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 314881 Specdb::NmrOneD 314882 Specdb::NmrOneD 314883 Specdb::NmrOneD 314884 Specdb::NmrOneD 314885 Specdb::NmrOneD 314886 Specdb::NmrOneD 314887 Specdb::NmrOneD 314888 Specdb::NmrOneD 314889 Specdb::NmrOneD 314890 Specdb::NmrOneD 314891 Specdb::NmrOneD 314892 Specdb::NmrOneD 314893 Specdb::NmrOneD 314894 Specdb::NmrOneD 314895 Specdb::NmrOneD 314896 Specdb::NmrOneD 314897 Specdb::NmrOneD 314898 Specdb::NmrOneD 314899 Specdb::NmrOneD 314900 Specdb::CMs 1581 Specdb::MsMs 105270 Specdb::MsMs 105271 Specdb::MsMs 105272 Specdb::MsMs 171735 Specdb::MsMs 171736 Specdb::MsMs 171737 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 320061 64947 Methylglucoside Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684