<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 20:19:24 UTC</creation_date>
  <update_date>2026-08-23 02:43:53 UTC</update_date>
  <accession/>
  <common_name>Pentrinitrol</common_name>
  <class>SmallMolecule</class>
  <description>Pentrinitrol is an organic compound with the chemical formula C5H12N3O10 and an average molecular weight of 271.14 g/mol. Pentrinitrol belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. It is further categorized as an organic oxygen compound.

The substance has been identified in or released from nine recorded sources across several categories. Within food, food processing, and cookware, it is associated with the preparation of vinegar, the preparation of wine or sparkling wine, fermentation processes for beer, and the processing of meats. In the realm of household cleaning and consumer products, it is found in soap detergents, bleaching agents, and tobacco smoke filters. Additionally, it is linked to electrical and electronic equipment, specifically radio transmission systems and fixed capacitors and their manufacture.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C5H12N3O10</chemical_formula>
  <average_molecular_weight>271.138</average_molecular_weight>
  <monisotopic_moleculate_weight>274.0522686</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1607-17-6</cas_registry_number>
  <smiles>OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O</smiles>
  <inchi>InChI=1/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2</inchi>
  <inchikey>BRBAEHHXGZRCBK-UHFFFAOYSA-N</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/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>271.138</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>274.0522686</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H12N3O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BRBAEHHXGZRCBK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267b78de8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15353</pubchem_compound_id>
  <chembl_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
