<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 05:39:55 UTC</creation_date>
  <update_date>2026-05-14 17:46:36 UTC</update_date>
  <accession/>
  <common_name>Dihydrogen phosphate</common_name>
  <class>SmallMolecule</class>
  <description>Dihydrogen phosphate (H2O4P) is an inorganic compound with an average molecular weight of 96.99 g/mol. Dihydrogen phosphate belongs to the non-metal phosphates, a subclass of non-metal oxoanionic compounds within the inorganic compounds.

This compound serves as an industrial buffer (PMC8506604). It is released from or found in 30 recorded sources. These include building and construction materials such as ceilings, as well as food, food processing, and cookware sources including food preservation, molasses and treatment of molasses, fermentation processes for beer, the preparation of wort, and the preparation of vinegar. In the category of household cleaning and consumer products, it is found in bleaching agents, pipe accessories, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. Additionally, it is associated with electrical and electronic equipment, including antennas, amplifiers, colour television systems, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials. There are two recorded protein targets for dihydrogen phosphate: phosphate-binding protein PstS (pstS) and L-xylulose reductase (DCXR).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>H2O4P</chemical_formula>
  <average_molecular_weight>96.9872</average_molecular_weight>
  <monisotopic_moleculate_weight>96.969070064</monisotopic_moleculate_weight>
  <iupac_name>phosphoric acid</iupac_name>
  <traditional_iupac>phosphoric acid</traditional_iupac>
  <cas_registry_number>14066-20-7</cas_registry_number>
  <smiles>OP(O)([O-])=O</smiles>
  <inchi>InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1</inchi>
  <inchikey>NBIIXXVUZAFLBC-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal phosphates</sub_class>
    <direct_parent>Non-metal phosphates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal phosphate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>phosphoric acids</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</value>
    </property>
  </experimental_properties>
  <predicted_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>phosphoric acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>96.9872</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>96.969070064</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OP(O)([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H2O4P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NBIIXXVUZAFLBC-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>77.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>14.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.81</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>3</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>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id>DB02831</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>1003</pubchem_compound_id>
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</compound>
