1.0 2010-04-08 22:15:10 UTC 2019-11-26 03:19:14 UTC FDB020638 2,3-Butanediol glucoside Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol glucoside is found in herbs and spices. (2x,3x)-Butanediol O-b-D-glucopyranoside 2,3-Butanediol glucoside Acetoin glucoside beta-D-Glucopyranoside, 2-hydroxy-1-methylpropyl C10H20O7 252.2616 252.120902994 2-[(3-hydroxybutan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3-hydroxybutan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 146763-54-4 CC(O)C(C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3 ZLXYJEYKAQYNPV-UHFFFAOYSA-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. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.36 ALOGPS logs 0.07 ALOGPS solubility 2.98e+02 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(3-hydroxybutan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 252.2616 ChemAxon mono_mass 252.120902994 ChemAxon smiles CC(O)C(C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C10H20O7 ChemAxon inchi InChI=1S/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3 ChemAxon inchikey ZLXYJEYKAQYNPV-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 55.8 ChemAxon polarizability 25.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17313 Specdb::CMs 46983 Specdb::CMs 166400 Specdb::NmrOneD 43522 Specdb::NmrOneD 43523 Specdb::NmrOneD 43524 Specdb::NmrOneD 43525 Specdb::NmrOneD 43526 Specdb::NmrOneD 43527 Specdb::NmrOneD 43528 Specdb::NmrOneD 43529 Specdb::NmrOneD 43530 Specdb::NmrOneD 43531 Specdb::NmrOneD 43532 Specdb::NmrOneD 43533 Specdb::NmrOneD 43534 Specdb::NmrOneD 43535 Specdb::NmrOneD 43536 Specdb::NmrOneD 43537 Specdb::NmrOneD 43538 Specdb::NmrOneD 43539 Specdb::NmrOneD 43540 Specdb::NmrOneD 43541 Specdb::MsMs 10139 Specdb::MsMs 10140 Specdb::MsMs 10141 Specdb::MsMs 16811 Specdb::MsMs 16812 Specdb::MsMs 16813 Specdb::MsMs 2672055 Specdb::MsMs 2672056 Specdb::MsMs 2672057 Specdb::MsMs 3010194 Specdb::MsMs 3010195 Specdb::MsMs 3010196 HMDB40822 #<Reference:0x000055ce32670498> Herbs and Spices Unknown generic