1.0 2010-04-08 22:05:52 UTC 2025-11-18 22:53:07 UTC FDB003577 Calcium oxalate Calcium oxalate, also known as calcium oxalate monohydrate or calcium oxalic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Calcium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Calcium oxalate can be found in a number of food items such as taro, ginkgo nuts, caraway, and sweet potato, which makes calcium oxalate a potential biomarker for the consumption of these food products. Calcium oxalate (in archaic terminology, oxalate of lime) is a calcium salt of oxalate with the chemical formula CaC2O4(H2O)x, where x can vary. All forms are colorless or white. The monohydrate occurs naturally as the mineral whewellite, forming envelope-shaped crystals, known in plants as raphides. The rarer dihydrate (mineral: weddellite) and trihydrate (mineral: caoxite) are also recognized. Calcium oxalates are as major constituent of human kidney stones, calcium oxalate is also found in beerstone, a scale that forms on containers used in breweries . C2CaO4 128.096 127.9422494 calcium oxalate calcium oxalate 563-72-4 [Ca++].[O-]C(=O)C([O-])=O InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 QXDMQSPYEZFLGF-UHFFFAOYSA-L belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic calcium salts Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Organic calcium salt Organic oxide Organic oxygen compound Organic salt Organooxygen compound organic calcium salt logp 0.31 ALOGPS logs -1.05 ALOGPS solubility 1.62e+01 g/l ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 1.36 ChemAxon iupac calcium oxalate ChemAxon average_mass 128.096 ChemAxon mono_mass 127.9422494 ChemAxon smiles [Ca++].[O-]C(=O)C([O-])=O ChemAxon formula C2CaO4 ChemAxon inchi InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 ChemAxon inchikey QXDMQSPYEZFLGF-UHFFFAOYSA-L ChemAxon polar_surface_area 80.26 ChemAxon refractivity 36.11 ChemAxon polarizability 5.46 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1264630 Specdb::MsMs 1264631 Specdb::MsMs 1264632 Allspice Type 1 specific Pimenta dioica 375272 Almond Type 1 specific Prunus dulcis 3755 American pokeweed Type 1 specific Phytolacca americana 3527 Apple Type 1 specific Malus pumila 283210 Black elderberry Type 1 specific Sambucus nigra 4202 Caraway Type 1 specific Carum carvi 48032 Cassava Type 1 specific Manihot esculenta 3983 33.75 33.75 33.75 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Cloves Type 1 specific Syzygium aromaticum 219868 Common pea Type 1 specific Pisum sativum 3888 Garden onion Type 1 specific Allium cepa 4679 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Guava Type 1 specific Psidium guajava 120290 Pomegranate Type 1 specific Punica granatum 22663 4000.0 4000.0 4000.0 mg/100 g Purslane Type 1 specific Portulaca oleracea 46147 Roselle Type 1 specific Hibiscus sabdariffa 183260 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Sweet potato Type 1 specific Ipomoea batatas 4120 32.0 32.0 32.0 mg/100 g Taro Type 1 specific Colocasia esculenta 4460 221.5 400.0 43.0 mg/100 g Yautia Type 1 specific Xanthosoma sagittifolium 28478 47.5 47.5 47.5 mg/100 g Emetic 899 Inflammatory 1034 Laxative 1065 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. Lithogenic 1078