<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:15:06 UTC</creation_date>
  <update_date>2019-11-26 03:19:07 UTC</update_date>
  <accession>FDB020551</accession>
  <name>Potassium citrate</name>
  <description>Alkalising and buffering agent. It is used in foods, beverages and oral pharmaceutical formulations. More sol. than Na salts; also used in low-Na foods and as a potassium source in nutritional supplements

Potassium citrate is an effective way to treat/manage gout and arrhythmia, if the patient is hypokalemic. In common with other substances that render the urine alkaline, it may be used to reduce the danger of crystalluria during sulfonamide therapy. Potassium citrate is found in beverages.</description>
  <synonyms>
    <synonym>1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt</synonym>
    <synonym>866-84-2 (anhydrous)</synonym>
    <synonym>Acalka</synonym>
    <synonym>Citric acid tripotassium salt</synonym>
    <synonym>Citric acid, potassium salt</synonym>
    <synonym>Citric acid, tripotassium salt</synonym>
    <synonym>Citric acid, tripotassium salt, monohydrate</synonym>
    <synonym>E332</synonym>
    <synonym>Kajos</synonym>
    <synonym>Kaliksir</synonym>
    <synonym>Litocit</synonym>
    <synonym>Polycitra k</synonym>
    <synonym>Porekal</synonym>
    <synonym>Potassium citrate</synonym>
    <synonym>Potassium citrate (anhydrous)</synonym>
    <synonym>Potassium citrate anhydrous</synonym>
    <synonym>Potassium citrate monohydrate</synonym>
    <synonym>Potassium citrate tribasic monohydrate</synonym>
    <synonym>Potassium tribasic citrate</synonym>
    <synonym>Seltz-k</synonym>
    <synonym>Tripotassium citrate</synonym>
    <synonym>Tripotassium citrate monohydrate</synonym>
    <synonym>Urocit K</synonym>
    <synonym>Urocit K Srt 540mg</synonym>
    <synonym>Urocit-k</synonym>
  </synonyms>
  <chemical_formula>C6H8K3O7</chemical_formula>
  <average_molecular_weight>309.4184</average_molecular_weight>
  <monisotopic_moleculate_weight>308.918123193</monisotopic_moleculate_weight>
  <iupac_name>tripotassium 2-hydroxypropane-1,2,3-tricarboxylic acid</iupac_name>
  <traditional_iupac>tripotassium citric acid</traditional_iupac>
  <cas_registry_number>866-84-2</cas_registry_number>
  <smiles>[K+].[K+].[K+].OC(=O)CC(O)(CC(O)=O)C(O)=O</smiles>
  <inchi>InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1</inchi>
  <inchikey>QEEAPRPFLLJWCF-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.</description>
    <direct_parent>Tricarboxylic acids and derivatives</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Tricarboxylic acids and derivatives</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Alpha hydroxy acids and derivatives</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic cations</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic potassium salts</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha-hydroxy acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Hydroxy acid</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic cation</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic potassium salt</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Tertiary alcohol</substituent>
      <substituent>Tricarboxylic acid or derivatives</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 275° dec.</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>3.05</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-4.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>tripotassium 2-hydroxypropane-1,2,3-tricarboxylic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>309.4184</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>308.918123193</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[K+].[K+].[K+].OC(=O)CC(O)(CC(O)=O)C(O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H8K3O7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>QEEAPRPFLLJWCF-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>132.13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>35.62</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>15.5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
    <food>
      <name>Beverages</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
  </foods>
  <flavors>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
