1.0 2010-04-08 22:14:47 UTC 2019-11-26 03:18:26 UTC FDB020079 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside Constituent of Riesling wine. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside is found in alcoholic beverages. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-O-b-D-glucopyranoside 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-O-b-D-glucoside C19H30O10 418.4355 418.18389718 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 68340-35-2 COC1=C(OC(CO)COC2OC(CO)C(O)C(O)C2O)C=CC(CCCO)=C1 InChI=1S/C19H30O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h4-5,7,12,15-25H,2-3,6,8-10H2,1H3 LRRKTNFBBSNZEN-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 Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.81 ALOGPS logs -2.23 ALOGPS solubility 2.46e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 418.4355 ChemAxon mono_mass 418.18389718 ChemAxon smiles COC1=C(OC(CO)COC2OC(CO)C(O)C(O)C2O)C=CC(CCCO)=C1 ChemAxon formula C19H30O10 ChemAxon inchi InChI=1S/C19H30O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h4-5,7,12,15-25H,2-3,6,8-10H2,1H3 ChemAxon inchikey LRRKTNFBBSNZEN-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 99.82 ChemAxon polarizability 42.76 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16153 Specdb::CMs 46748 Specdb::CMs 162698 Specdb::MsMs 301801 Specdb::MsMs 301802 Specdb::MsMs 301803 Specdb::MsMs 344368 Specdb::MsMs 344369 Specdb::MsMs 344370 Specdb::MsMs 2680137 Specdb::MsMs 2680138 Specdb::MsMs 2680139 Specdb::MsMs 3025335 Specdb::MsMs 3025336 Specdb::MsMs 3025337 Specdb::NmrOneD 40022 Specdb::NmrOneD 40023 Specdb::NmrOneD 40024 Specdb::NmrOneD 40025 Specdb::NmrOneD 40026 Specdb::NmrOneD 40027 Specdb::NmrOneD 40028 Specdb::NmrOneD 40029 Specdb::NmrOneD 40030 Specdb::NmrOneD 40031 Specdb::NmrOneD 40032 Specdb::NmrOneD 40033 Specdb::NmrOneD 40034 Specdb::NmrOneD 40035 Specdb::NmrOneD 40036 Specdb::NmrOneD 40037 Specdb::NmrOneD 40038 Specdb::NmrOneD 40039 Specdb::NmrOneD 40040 Specdb::NmrOneD 40041 HMDB40353 #<Reference:0x000055ce30dc6550> Alcoholic beverages Unknown generic