1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:31 UTC FDB011058 (x)-1,2-Propanediol 1-O-b-D-glucopyranoside Constituent of fennel (Foeniculum vulgare). (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices. (x)-1,2-Propanediol 1-O-b-D-glucopyranoside (x)-1,2-Propanediol 1-O-b-D-glucoside (x)-1,2-Propanediol glucoside C9H18O7 238.235 238.10525293 2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxane-3,4,5-triol 2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxane-3,4,5-triol 617-45-8 CC(O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3 AJLVEHFNMNRXNI-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 -2.55 ALOGPS logs 0.30 ALOGPS solubility 4.80e+02 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxane-3,4,5-triol ChemAxon average_mass 238.235 ChemAxon mono_mass 238.10525293 ChemAxon smiles CC(O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C9H18O7 ChemAxon inchi InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3 ChemAxon inchikey AJLVEHFNMNRXNI-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 51.39 ChemAxon polarizability 23.33 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22600 Specdb::CMs 43075 Specdb::CMs 147948 Specdb::MsMs 7625 Specdb::MsMs 7626 Specdb::MsMs 7627 Specdb::MsMs 14297 Specdb::MsMs 14298 Specdb::MsMs 14299 Specdb::MsMs 2838891 Specdb::MsMs 2838892 Specdb::MsMs 2838893 Specdb::MsMs 2869875 Specdb::MsMs 2869876 Specdb::MsMs 2869877 Specdb::NmrOneD 117658 Specdb::NmrOneD 117659 Specdb::NmrOneD 117660 Specdb::NmrOneD 117661 Specdb::NmrOneD 117662 Specdb::NmrOneD 117663 Specdb::NmrOneD 117664 Specdb::NmrOneD 117665 Specdb::NmrOneD 117666 Specdb::NmrOneD 117667 Specdb::NmrOneD 117668 Specdb::NmrOneD 117669 Specdb::NmrOneD 117670 Specdb::NmrOneD 117671 Specdb::NmrOneD 117672 Specdb::NmrOneD 117673 Specdb::NmrOneD 117674 Specdb::NmrOneD 117675 Specdb::NmrOneD 117676 Specdb::NmrOneD 117677 HMDB33065 #<Reference:0x000055ce3226c6d0> Herbs and Spices Unknown generic