<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:12:30 UTC</creation_date>
  <update_date>2026-04-14 19:34:44 UTC</update_date>
  <accession/>
  <common_name>Iron hydroxide sulfate (Fe4(OH)2(SO4)5)</common_name>
  <class>SmallMolecule</class>
  <description>Iron hydroxide sulfate (Fe4(OH)2(SO4)5) belongs to the transition metal sulfates, a subclass of transition metal oxoanionic compounds within the inorganic compounds. It is classified as a mixed metal/non-metal compound with the formula Fe4H2O22S5. With an average molecular weight of 737.67 g/mol, Iron hydroxide sulfate (Fe4(OH)2(SO4)5) is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>Fe4H2O22S5</chemical_formula>
  <average_molecular_weight>737.67</average_molecular_weight>
  <monisotopic_moleculate_weight>737.503872</monisotopic_moleculate_weight>
  <iupac_name>tetrairon(3+) ion dihydroxide pentasulfate</iupac_name>
  <traditional_iupac>tetrairon(3+) ion dihydroxide pentasulfate</traditional_iupac>
  <cas_registry_number>1310-45-8</cas_registry_number>
  <smiles>[OH-].[OH-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/4Fe.5H2O4S.2H2O/c;;;;5*1-5(2,3)4;;/h;;;;5*(H2,1,2,3,4);2*1H2/q4*+3;;;;;;;/p-12</inchi>
  <inchikey>GDPKWKCLDUOTMP-UHFFFAOYSA-B</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Transition metal oxoanionic compounds</class>
    <sub_class>Transition metal sulfates</sub_class>
    <direct_parent>Transition metal sulfates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic hydrides</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic hydride</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Transition metal sulfate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>tetrairon(3+) ion dihydroxide pentasulfate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>737.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>737.503872</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[OH-].[OH-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Fe4H2O22S5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/4Fe.5H2O4S.2H2O/c;;;;5*1-5(2,3)4;;/h;;;;5*(H2,1,2,3,4);2*1H2/q4*+3;;;;;;;/p-12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GDPKWKCLDUOTMP-UHFFFAOYSA-B</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>80.26</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>11.53</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>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>
  </predicted_properties>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72228c8840&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13885</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>159372</pubchem_compound_id>
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  <wikipidia/>
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</compound>
