<?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>2025-11-18 23:43:45 UTC</update_date>
  <accession>FDB013350</accession>
  <name>Hexasodium metaphosphate (P6O186(-))</name>
  <description>Emulsifier, texturiser, dietary supplement, sequestrant, binding agent, pig/poultry scald agent, potential food contaminant arising from paper/board packaging

Sodium hexametaphosphate (SHMP) is used as a sequestrant and has applications with in a wide variety of industries, including as a food additive in which it is used under the E number E452i. Sodium hexametaphosphate of commerce is typically a mixture of polymeric metaphosphates, of which the hexamer is one, and is usually the compound referred to by this name. It is more correctly termed sodium polymetaphosphate. </description>
  <synonyms>
    <synonym>Calgon</synonym>
    <synonym>Graham's salt?</synonym>
    <synonym>Hexametaphosphate, sodium salt</synonym>
    <synonym>Hexasodium hexametaphosphate</synonym>
    <synonym>Hexasodium metaphosphate</synonym>
    <synonym>Metaphosphoric acid (H6P6O18), hexasodium salt</synonym>
    <synonym>Metaphosphoric acid (H6P6O18), sodium salt (1:6)</synonym>
    <synonym>Metaphosphoric acid, hexasodium salt</synonym>
    <synonym>SHMP</synonym>
    <synonym>Sodium hexametaphosphate</synonym>
    <synonym>Sodium phosphate (Na6P6O18)</synonym>
  </synonyms>
  <chemical_formula>Na6O18P6</chemical_formula>
  <average_molecular_weight>611.7704</average_molecular_weight>
  <monisotopic_moleculate_weight>611.689650318</monisotopic_moleculate_weight>
  <iupac_name>hexasodium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate)</iupac_name>
  <traditional_iupac>hexasodium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate)</traditional_iupac>
  <cas_registry_number>10124-56-8</cas_registry_number>
  <smiles>[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)O1</smiles>
  <inchi>InChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q6*+1;/p-6</inchi>
  <inchikey>GCLGEJMYGQKIIW-UHFFFAOYSA-H</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 sodium salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkali metal phosphate</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-2.5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>0.097</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>hexasodium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>611.7704</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>611.689650318</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)O1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Na6O18P6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q6*+1;/p-6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GCLGEJMYGQKIIW-UHFFFAOYSA-H</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>296.16</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>58.51</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>24.49</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>12</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1330498</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1330499</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1330500</spectrum_id>
    </spectrum>
  </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>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
