<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 14:29:51 UTC</creation_date>
  <update_date>2026-08-22 14:29:51 UTC</update_date>
  <accession/>
  <common_name>2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate</common_name>
  <class>SmallMolecule</class>
  <description>2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate belongs to the fatty alcohols, a subclass of fatty acyls within the organic compounds. It is a lipid-like molecule with the formula C42H84O22. With an average molecular weight of 941.10 g/mol, 2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C42H84O22</chemical_formula>
  <average_molecular_weight>941.1</average_molecular_weight>
  <monisotopic_moleculate_weight>940.5454243</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>34406-66-1</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C42H84O22/c1-2-3-4-5-6-27(7-28(53)16-43)39(8-29(54)17-44,9-30(55)18-45)41(12-33(58)21-48,13-34(59)22-49)42(14-35(60)23-50,15-36(61)24-51)40(10-31(56)19-46,11-32(57)20-47)38(63)64-26-37(62)25-52/h27-37,43-62H,2-26H2,1H3</inchi>
  <inchikey>SXCCYPSQCCKDHO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
    <direct_parent/>
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    <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>-6.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>941.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>940.5454243</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C42H84O22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C42H84O22/c1-2-3-4-5-6-27(7-28(53)16-43)39(8-29(54)17-44,9-30(55)18-45)41(12-33(58)21-48,13-34(59)22-49)42(14-35(60)23-50,15-36(61)24-51)40(10-31(56)19-46,11-32(57)20-47)38(63)64-26-37(62)25-52/h27-37,43-62H,2-26H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SXCCYPSQCCKDHO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3f650b8&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>90471646</pubchem_compound_id>
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