<?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 23:43:50 UTC</update_date>
  <accession>FDB013356</accession>
  <name>Calcium phosphate (3:2)</name>
  <description>Component of flour bleaching mixtures, anticaking agent, dietary supplement, flavouring ingredient</description>
  <synonyms>
    <synonym>Bone ash</synonym>
    <synonym>Bone phosphate of lime</synonym>
    <synonym>BPL</synonym>
    <synonym>Calcium orthophosphate</synonym>
    <synonym>Calcium phosphate (3:2), 9CI, 8CI</synonym>
    <synonym>Calcium tertiary phosphate</synonym>
    <synonym>FEMA 3081</synonym>
    <synonym>Phosphoric acid calcium(2+) salt (2:3)</synonym>
    <synonym>Phosphoric acid, calcium salt (2:3)</synonym>
    <synonym>Tertiary calcium phosphate</synonym>
    <synonym>Tribasic calcium phosphate</synonym>
    <synonym>Tricalcium bis(phosphate)</synonym>
    <synonym>Tricalcium diphosphate</synonym>
    <synonym>Tricalcium orthophosphate</synonym>
    <synonym>Tricalcium phosphate</synonym>
  </synonyms>
  <chemical_formula>Ca3O8P2</chemical_formula>
  <average_molecular_weight>310.177</average_molecular_weight>
  <monisotopic_moleculate_weight>309.794613465</monisotopic_moleculate_weight>
  <iupac_name>tricalcium diphosphate</iupac_name>
  <traditional_iupac>tricalcium diphosphate</traditional_iupac>
  <cas_registry_number>7758-87-4</cas_registry_number>
  <smiles>[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O</smiles>
  <inchi>InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6</inchi>
  <inchikey>QORWJWZARLRLPR-UHFFFAOYSA-H</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkaline earth 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 alkaline earth metal.</description>
    <direct_parent>Alkaline earth metal phosphates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkaline earth metal oxoanionic compounds</class>
    <sub_class>Alkaline earth metal phosphates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic calcium salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkaline earth metal phosphate</substituent>
      <substituent>Inorganic calcium salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>calcium phosphate</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>tricalcium diphosphate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>310.177</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>309.794613465</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Ca3O8P2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>QORWJWZARLRLPR-UHFFFAOYSA-H</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>86.25</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>11.29</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.93</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</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>9679</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>
