1.0 2010-04-08 22:15:44 UTC 2025-11-19 02:38:05 UTC FDB021485 (S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside (s)-2-methyl-1-butanol o-beta-d-glucopyranoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (s)-2-methyl-1-butanol o-beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-methyl-1-butanol o-beta-d-glucopyranoside can be found in tea, which makes (s)-2-methyl-1-butanol o-beta-d-glucopyranoside a potential biomarker for the consumption of this food product. 1-(S)-Methylbutyl-beta-D-glucopyranoside C11H22O6 250.2888 250.141638436 2-(hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol 2-(hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol 132294-80-5 CCC(C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3 DMALNKYCYUUBGC-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.76 ALOGPS logs -0.20 ALOGPS solubility 1.57e+02 g/l ALOGPS logp -0.6 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol ChemAxon average_mass 250.2888 ChemAxon mono_mass 250.141638436 ChemAxon smiles CCC(C)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C11H22O6 ChemAxon inchi InChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3 ChemAxon inchikey DMALNKYCYUUBGC-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 59.02 ChemAxon polarizability 26.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1257817 Specdb::MsMs 1257818 Specdb::MsMs 1257819 Specdb::MsMs 1372978 Specdb::MsMs 1372979 Specdb::MsMs 1372980 Specdb::MsMs 3606637 Specdb::MsMs 3606638 Specdb::MsMs 3606639 Specdb::MsMs 3606640 Specdb::MsMs 3606641 Specdb::MsMs 3606642 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442