<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 16:59:29 UTC</creation_date>
  <update_date>2026-05-14 19:42:22 UTC</update_date>
  <accession/>
  <common_name>Calcium Hydrogen Phosphate Dihydrate</common_name>
  <class>SmallMolecule</class>
  <description>Calcium Hydrogen Phosphate Dihydrate (CaH5O6P) is an inorganic compound with an average molecular weight of 172.09 g/mol. Calcium Hydrogen Phosphate Dihydrate belongs to the alkaline earth metal phosphates, a subclass of alkaline earth metal oxoanionic compounds within the inorganic compounds.

The compound is recorded as being found in or released from five sources. These include electrical and electronic equipment, specifically amplifiers, antennas, cores yokes or armatures, and discharge lamps. Additionally, it is found in household cleaning and consumer products, specifically tobacco product cases.

In biological contexts, the compound is associated with 33 recorded protein targets. These targets include the extracellular calcium-sensing receptor (CASR), calreticulin (CALR), calcium and integrin-binding protein 1 (CIB1), and programmed cell death protein 6 (PDCD6), along with 29 other proteins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CaH5O6P</chemical_formula>
  <average_molecular_weight>172.086</average_molecular_weight>
  <monisotopic_moleculate_weight>171.9449658</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7789-77-7</cas_registry_number>
  <smiles>O.O.[Ca++].OP([O-])([O-])=O</smiles>
  <inchi>InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2</inchi>
  <inchikey>XAAHAAMILDNBPS-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Calcium phosphate dihydrate Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145139</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>172.086</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>171.9449658</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O.O.[Ca++].OP([O-])([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CaH5O6P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XAAHAAMILDNBPS-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225f7f780&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14481</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>104805</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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