1.0 2010-04-08 22:14:20 UTC 2018-05-29 01:41:49 UTC FDB019399 alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic acid Isolated from enzymic hydrolysates (yeast or mould pectinases) of pectic acidand is) also from partial acid hydrolysis of Medicago sativa (lucerne) pectin Alpha-gala-gala-gala Gala-(1-4)-gala-(1-4)-gala Trigalacturonic acid C18H26O19 546.3876 546.10682865 3-({6-carboxy-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5,6-trihydroxyoxane-2-carboxylic acid pectic acid 6037-45-2 OC1OC(C(OC2OC(C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31) LCLHHZYHLXDRQG-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hemiacetals Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Tricarboxylic acids and derivatives 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol Tricarboxylic acid or derivatives logp -1.15 ALOGPS logs -0.84 ALOGPS solubility 7.81e+01 g/l ALOGPS melting_point Mp 139-145° dec. logp -5.5 ChemAxon pka_strongest_acidic 2.59 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3-({6-carboxy-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5,6-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 546.3876 ChemAxon mono_mass 546.10682865 ChemAxon smiles OC1OC(C(OC2OC(C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O ChemAxon formula C18H26O19 ChemAxon inchi InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31) ChemAxon inchikey LCLHHZYHLXDRQG-UHFFFAOYSA-N ChemAxon polar_surface_area 319.89 ChemAxon refractivity 100.35 ChemAxon polarizability 46.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65403 Specdb::MsMs 65404 Specdb::MsMs 65405 Specdb::MsMs 122799 Specdb::MsMs 122800 Specdb::MsMs 122801 Specdb::MsMs 2394742 Specdb::MsMs 2394743 Specdb::MsMs 2394744 Specdb::MsMs 2540189 Specdb::MsMs 2540190 Specdb::MsMs 2540191 Specdb::NmrOneD 35782 Specdb::NmrOneD 35783 Specdb::NmrOneD 35784 Specdb::NmrOneD 35785 Specdb::NmrOneD 35786 Specdb::NmrOneD 35787 Specdb::NmrOneD 35788 Specdb::NmrOneD 35789 Specdb::NmrOneD 35790 Specdb::NmrOneD 35791 Specdb::NmrOneD 35792 Specdb::NmrOneD 35793 Specdb::NmrOneD 35794 Specdb::NmrOneD 35795 Specdb::NmrOneD 35796 Specdb::NmrOneD 35797 Specdb::NmrOneD 35798 Specdb::NmrOneD 35799 Specdb::NmrOneD 35800 Specdb::NmrOneD 35801 Specdb::CMs 18185 Specdb::CMs 46558 Specdb::CMs 281594 Specdb::CMs 294773 Specdb::CMs 294774 Specdb::CMs 294775 Specdb::CMs 294776 Specdb::CMs 294777 Specdb::CMs 294778 Specdb::CMs 294779 Specdb::CMs 294780 Specdb::CMs 294781 Specdb::CMs 294782 Specdb::CMs 294783 Specdb::CMs 294784 Specdb::CMs 294785 Specdb::CMs 294786 Specdb::CMs 294787 Specdb::CMs 294788 Specdb::CMs 294789 Specdb::CMs 294790 Specdb::CMs 294791 Specdb::CMs 294792 Specdb::CMs 294793 Specdb::CMs 294794 HMDB39751 #<Reference:0x000055ce306a8ed0>