1.0 2010-04-08 22:09:51 UTC 2019-11-26 03:05:32 UTC FDB011836 (1R,2R)-Isocitric acid Found in lemon juice (-)-Alloisocitric acid (-)-erythro-Form 3-Carboxy-2,3-dideoxy-D-erythro-pentaric acid D-Erythro-isocitric acid Isocitric acid Isocitric acid; (-)-erythro-form C6H8O7 192.1235 192.02700261 (1R,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid L-erythro-isocitric acid 30810-51-6 O[C@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1 ODBLHEXUDAPZAU-VVJJHMBFSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Tricarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Aliphatic acyclic compounds Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Hydrocarbon derivative Hydroxy acid Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Tricarboxylic acid or derivatives isocitric acid logp -0.35 ALOGPS logs -0.56 ALOGPS solubility 5.25e+01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 3.07 ChemAxon pka_strongest_basic -4 ChemAxon iupac (1R,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid ChemAxon average_mass 192.1235 ChemAxon mono_mass 192.02700261 ChemAxon smiles O[C@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O ChemAxon formula C6H8O7 ChemAxon inchi InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1 ChemAxon inchikey ODBLHEXUDAPZAU-VVJJHMBFSA-N ChemAxon polar_surface_area 132.13 ChemAxon refractivity 35.72 ChemAxon polarizability 15.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6213 Specdb::MsIr 6214 Specdb::MsIr 6215 Specdb::CMs 11439 Specdb::CMs 43461 Specdb::CMs 147199 Specdb::NmrOneD 121758 Specdb::NmrOneD 121759 Specdb::NmrOneD 121760 Specdb::NmrOneD 121761 Specdb::NmrOneD 121762 Specdb::NmrOneD 121763 Specdb::NmrOneD 121764 Specdb::NmrOneD 121765 Specdb::NmrOneD 121766 Specdb::NmrOneD 121767 Specdb::NmrOneD 121768 Specdb::NmrOneD 121769 Specdb::NmrOneD 121770 Specdb::NmrOneD 121771 Specdb::NmrOneD 121772 Specdb::NmrOneD 121773 Specdb::NmrOneD 121774 Specdb::NmrOneD 121775 Specdb::NmrOneD 121776 Specdb::NmrOneD 121777 Specdb::MsMs 106827 Specdb::MsMs 106828 Specdb::MsMs 106829 Specdb::MsMs 173661 Specdb::MsMs 173662 Specdb::MsMs 173663 Specdb::MsMs 2280400 Specdb::MsMs 2280401 Specdb::MsMs 2280402 Specdb::MsMs 3084427 Specdb::MsMs 3084428 Specdb::MsMs 3084429 HMDB33717 160 #<Reference:0x000055ce306e0268> Citrus Unknown generic