1.0 2010-04-08 22:07:16 UTC 2019-11-26 03:01:15 UTC FDB006715 Aldobiouronic acid Aldobiouronic acid is also known as aldobiouronate. Aldobiouronic acid is soluble (in water) and a very weakly acidic compound (based on its pKa). Aldobiouronic acid can be found in almond and corn, which makes aldobiouronic acid a potential biomarker for the consumption of these food products. C12H20O12 356.28 356.095476084 3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl formate 3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl formate OC1OC(COC2OC(OC=O)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C12H20O12/c13-2-22-12-9(19)6(16)8(18)11(24-12)21-1-3-4(14)5(15)7(17)10(20)23-3/h2-12,14-20H,1H2 ZXJXQFVZRHATEK-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 Carbonyl compounds Carboxylic acid esters Disaccharides Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -2.29 ALOGPS logs -0.00 ALOGPS solubility 3.53e+02 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 11.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl formate ChemAxon average_mass 356.28 ChemAxon mono_mass 356.095476084 ChemAxon smiles OC1OC(COC2OC(OC=O)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C12H20O12 ChemAxon inchi InChI=1S/C12H20O12/c13-2-22-12-9(19)6(16)8(18)11(24-12)21-1-3-4(14)5(15)7(17)10(20)23-3/h2-12,14-20H,1H2 ChemAxon inchikey ZXJXQFVZRHATEK-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 68.07 ChemAxon polarizability 31.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92784 Specdb::MsMs 92785 Specdb::MsMs 92786 Specdb::MsMs 156465 Specdb::MsMs 156466 Specdb::MsMs 156467 Specdb::MsMs 3603242 Specdb::MsMs 3603243 Specdb::MsMs 3603244 Specdb::MsMs 3603245 Specdb::MsMs 3603246 Specdb::MsMs 3603247 Almond Type 1 specific Prunus dulcis 3755 Corn Type 1 specific Zea mays 4577