<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:40 UTC</creation_date>
  <update_date>2018-05-29 01:04:37 UTC</update_date>
  <accession>FDB013354</accession>
  <name>Potassium metaphosphate</name>
  <description>It is used as a food additive </description>
  <synonyms>
    <synonym>Metaphosphoric acid (HPO3), potassium salt</synonym>
    <synonym>Metaphosphoric acid (HPO3), potassium salt (1:1)</synonym>
    <synonym>Potassium metaphosphate (NF)</synonym>
    <synonym>Potassium polymetaphosphate</synonym>
  </synonyms>
  <chemical_formula>K4O12P4</chemical_formula>
  <average_molecular_weight>472.281</average_molecular_weight>
  <monisotopic_moleculate_weight>471.688848956</monisotopic_moleculate_weight>
  <iupac_name>tetrapotassium trioxo-1,3,5,2λ⁵,4λ⁵,6λ⁵-trioxatriphosphinane-2,4,6-tris(olate) oxophosphinate</iupac_name>
  <traditional_iupac>tetrapotassium trimetaphosphate trioxidophosphate(1-)</traditional_iupac>
  <cas_registry_number>7790-53-6</cas_registry_number>
  <smiles>[K+].[K+].[K+].[K+].[O-]P(=O)=O.[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1</smiles>
  <inchi>InChI=1S/4K.H3O9P3.HO3P/c;;;;1-10(2)7-11(3,4)9-12(5,6)8-10;1-4(2)3/h;;;;(H,1,2)(H,3,4)(H,5,6);(H,1,2,3)/q4*+1;;/p-4</inchi>
  <inchikey>KVTDAUFEDONUBB-UHFFFAOYSA-J</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkali metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.</description>
    <direct_parent>Alkali metal phosphates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkali metal oxoanionic compounds</class>
    <sub_class>Alkali metal phosphates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkali metal phosphate</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 803-813°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>0.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>tetrapotassium trioxo-1,3,5,2λ⁵,4λ⁵,6λ⁵-trioxatriphosphinane-2,4,6-tris(olate) oxophosphinate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>472.281</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>471.688848956</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[K+].[K+].[K+].[K+].[O-]P(=O)=O.[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>K4O12P4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/4K.H3O9P3.HO3P/c;;;;1-10(2)7-11(3,4)9-12(5,6)8-10;1-4(2)3/h;;;;(H,1,2)(H,3,4)(H,5,6);(H,1,2,3)/q4*+1;;/p-4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>KVTDAUFEDONUBB-UHFFFAOYSA-J</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>148.08</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>29.25</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>12.18</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</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>
  </foods>
  <flavors>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
