<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:26:52 UTC</creation_date>
  <update_date>2026-08-26 00:26:24 UTC</update_date>
  <accession/>
  <common_name>SODIUM PYROPHOSPHATE</common_name>
  <class>SmallMolecule</class>
  <description>SODIUM PYROPHOSPHATE (H4O7P2) is an inorganic compound with an average molecular weight of 177.98 g/mol. SODIUM PYROPHOSPHATE belongs to the non-metal pyrophosphates, a subclass of non-metal oxoanionic compounds within the inorganic compounds. In industrial applications, the compound serves as a chelating agent, pH regulating agent, anti-caking agent, emulsifier, thickening agent, dispersing agent, lubricating agent, oxidizing agent, humectant, and drier. It is also utilized as a pharmaceutical and as processing aids not otherwise specified. Additionally, it is used in Polyvinyl Chloride plastics.

The compound is found in or released from 42 recorded sources. These include household cleaning and consumer products such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. It is associated with food, food processing and cookware, specifically in food preservation, the preparation of malt, the preparation of wine or sparkling wine, molasses and treatment of molasses, and fermentation processes for beer. Other sources include household items like coins, building and construction materials such as ceilings and fencing, and electrical and electronic equipment including amplifiers, antennas, adjustable resistors, auxiliary devices, and coils. Regarding biological activity, SODIUM PYROPHOSPHATE has two recorded protein targets, acting as an inhibitor/modulator of farnesyl diphosphate synthase (ispA) and farnesyl pyrophosphate synthase (FDPS).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Sodium diphosphate (Na4(P2O7))</synonym>
    <synonym>Tetrasodium pyrophosphate</synonym>
  </synonyms>
  <chemical_formula>H4O7P2</chemical_formula>
  <average_molecular_weight>177.9751</average_molecular_weight>
  <monisotopic_moleculate_weight>177.943225506</monisotopic_moleculate_weight>
  <iupac_name>(phosphonooxy)phosphonic acid</iupac_name>
  <traditional_iupac>pyrophosphoric acid</traditional_iupac>
  <cas_registry_number>7722-88-5</cas_registry_number>
  <smiles>OP(O)(=O)OP(O)(O)=O</smiles>
  <inchi>InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)</inchi>
  <inchikey>XPPKVPWEQAFLFU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal pyrophosphates</sub_class>
    <direct_parent>Non-metal pyrophosphates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal pyrophosphate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>acyclic phosphorus acid anhydride</descriptor>
      <descriptor>phosphorus oxoacid</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>1.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(phosphonooxy)phosphonic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>177.9751</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>177.943225506</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OP(O)(=O)OP(O)(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H4O7P2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XPPKVPWEQAFLFU-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>124.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>25.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>6</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>0</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:0x00007f3bd0110b58&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB04160</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>1023</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>996</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
