1.0 2010-04-08 22:13:29 UTC 2019-11-26 03:15:38 UTC FDB018063 (2R)-1-O-beta-D-Galactopyranosylglycerol Isolated from wheat flour lipids. (2R)-1-O-beta-D-Galactopyranosylglycerol is found in cereals and cereal products. C9H18O8 254.2344 254.100167552 2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 16232-91-0 OCC(O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2 NHJUPBDCSOGIKX-UHFFFAOYSA-N belongs to the class of organic compounds known as glycosylglycerols. These are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage. Glycosylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Glycosylglycerol Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol a small molecule logp -2.80 ALOGPS logs 0.15 ALOGPS solubility 3.60e+02 g/l ALOGPS melting_point Mp 140.5-141.5° logp -3.6 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 254.2344 ChemAxon mono_mass 254.100167552 ChemAxon smiles OCC(O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C9H18O8 ChemAxon inchi InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2 ChemAxon inchikey NHJUPBDCSOGIKX-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 52.93 ChemAxon polarizability 24.26 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8039 Specdb::MsMs 8040 Specdb::MsMs 8041 Specdb::MsMs 14711 Specdb::MsMs 14712 Specdb::MsMs 14713 Specdb::MsMs 2759411 Specdb::MsMs 2759412 Specdb::MsMs 2759413 Specdb::MsMs 2949738 Specdb::MsMs 2949739 Specdb::MsMs 2949740 Specdb::CMs 10274 Specdb::CMs 45962 Specdb::CMs 137663 Specdb::CMs 145397 Specdb::NmrOneD 27802 Specdb::NmrOneD 27803 Specdb::NmrOneD 27804 Specdb::NmrOneD 27805 Specdb::NmrOneD 27806 Specdb::NmrOneD 27807 Specdb::NmrOneD 27808 Specdb::NmrOneD 27809 Specdb::NmrOneD 27810 Specdb::NmrOneD 27811 Specdb::NmrOneD 27812 Specdb::NmrOneD 27813 Specdb::NmrOneD 27814 Specdb::NmrOneD 27815 Specdb::NmrOneD 27816 Specdb::NmrOneD 27817 Specdb::NmrOneD 27818 Specdb::NmrOneD 27819 Specdb::NmrOneD 27820 Specdb::NmrOneD 27821 HMDB38664 #<Reference:0x000055ce32b7e5e8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic