1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:13 UTC FDB019359 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid Prepd. from pectin by enzymic hydrolysis using yeast or mould pectinases or by acid hydrolysis. Sole or major repeating unit of the pectin class of polysaccharides Digalacturonate Digalacturonic acid C12H18O13 370.2635 370.074740662 6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 5894-59-7 OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21) IGSYEZFZPOZFNC-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. O-glucuronides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Disaccharides Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol logp -1.82 ALOGPS logs -0.47 ALOGPS solubility 1.25e+02 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 2.8 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 370.2635 ChemAxon mono_mass 370.074740662 ChemAxon smiles OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O ChemAxon formula C12H18O13 ChemAxon inchi InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21) ChemAxon inchikey IGSYEZFZPOZFNC-UHFFFAOYSA-N ChemAxon polar_surface_area 223.67 ChemAxon refractivity 68.07 ChemAxon polarizability 31.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10501 Specdb::CMs 46534 Specdb::CMs 135416 Specdb::CMs 143150 Specdb::CMs 150590 Specdb::CMs 150591 Specdb::CMs 150593 Specdb::CMs 150595 Specdb::CMs 150597 Specdb::CMs 150600 Specdb::CMs 150602 Specdb::CMs 150604 Specdb::CMs 150607 Specdb::CMs 150609 Specdb::CMs 150611 Specdb::CMs 150613 Specdb::CMs 150615 Specdb::CMs 150617 Specdb::CMs 150619 Specdb::CMs 150621 Specdb::CMs 150623 Specdb::CMs 150625 Specdb::CMs 150627 Specdb::CMs 150629 Specdb::CMs 150631 Specdb::NmrOneD 35482 Specdb::NmrOneD 35483 Specdb::NmrOneD 35484 Specdb::NmrOneD 35485 Specdb::NmrOneD 35486 Specdb::NmrOneD 35487 Specdb::NmrOneD 35488 Specdb::NmrOneD 35489 Specdb::NmrOneD 35490 Specdb::NmrOneD 35491 Specdb::NmrOneD 35492 Specdb::NmrOneD 35493 Specdb::NmrOneD 35494 Specdb::NmrOneD 35495 Specdb::NmrOneD 35496 Specdb::NmrOneD 35497 Specdb::NmrOneD 35498 Specdb::NmrOneD 35499 Specdb::NmrOneD 35500 Specdb::NmrOneD 35501 Specdb::MsMs 6563 Specdb::MsMs 6564 Specdb::MsMs 6565 Specdb::MsMs 13235 Specdb::MsMs 13236 Specdb::MsMs 13237 Specdb::MsMs 2746486 Specdb::MsMs 2746487 Specdb::MsMs 2746488 Specdb::MsMs 2932023 Specdb::MsMs 2932024 Specdb::MsMs 2932025 HMDB39721 33809 #<Reference:0x000055ce331cbc20>