1.0 2016-09-30 23:04:00 UTC 2020-04-22 15:12:06 UTC BMDB0003363 BMDB03363 Pectic acid Pectate a-D-Galacturonate a-D-Galacturonic acid alpha-D-Galacturonate Α-D-galacturonate Α-D-galacturonic acid alpha-delta-Galactopyranuronic acid alpha-delta-Galacturonic acid alpha-delta-Polygalacturonic acid Calcium pectate Calcium polygalacturonate D-Galacturonan D-Galacturonate delta-Galacturonan delta-Galacturonate delta-Galacturonic acid Galacturonan Galacturonate Poly(1,4-alpha-D-galacturonate) Poly(1,4-alpha-delta-galacturonate) Polygalacturonic acid Sodium pectate Sulfated polygalacturonic acid Polygalacturonic acid, aluminum salt Polygalacturonic acid, homopolymer sodium salt Polygalacturonic acid, sulfated Polygalacturonic acid, calcium salt Polygalacturonic acid homopolymer Homogalacturonan Polygalacturonic acid, homopolymer (D)-isomer Sodium polygalacturonate Pectic acid C6H10O7 194.1394 194.042652674 (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid α-D-galacturonic acid 9046-40-6 O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1 AEMOLEFTQBMNLQ-BKBMJHBISA-N belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Glucuronic acid derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hemiacetal Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol Aliphatic heteromonocyclic compounds D-galactopyranuronic acid Solid logp -2.30 ALOGPS logs 0.18 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.21 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid ChemAxon average_mass 194.1394 ChemAxon mono_mass 194.042652674 ChemAxon smiles O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O ChemAxon formula C6H10O7 ChemAxon inchi InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1 ChemAxon inchikey AEMOLEFTQBMNLQ-BKBMJHBISA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 35.79 ChemAxon polarizability 16.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1950 Specdb::MsIr 1951 Specdb::MsIr 1952 Specdb::CMs 9952 Specdb::CMs 38584 Specdb::CMs 160219 Specdb::MsMs 27911 Specdb::MsMs 27912 Specdb::MsMs 27913 Specdb::MsMs 34469 Specdb::MsMs 34470 Specdb::MsMs 34471 Specdb::MsMs 2737369 Specdb::MsMs 2737370 Specdb::MsMs 2737371 Specdb::MsMs 2968404 Specdb::MsMs 2968405 Specdb::MsMs 2968406 Specdb::NmrOneD 135830 Specdb::NmrOneD 135831 Specdb::NmrOneD 135832 Specdb::NmrOneD 135833 Specdb::NmrOneD 135834 Specdb::NmrOneD 135835 Specdb::NmrOneD 135836 Specdb::NmrOneD 135837 Specdb::NmrOneD 135838 Specdb::NmrOneD 135839 Specdb::NmrOneD 135840 Specdb::NmrOneD 135841 Specdb::NmrOneD 135842 Specdb::NmrOneD 135843 Specdb::NmrOneD 135844 Specdb::NmrOneD 135845 Specdb::NmrOneD 135846 Specdb::NmrOneD 135847 Specdb::NmrOneD 135848 Specdb::NmrOneD 135849 C00470 393411 FDB021453 445929 33885 DB03511 PECTATE Pectic acid 6904