<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">63002</id>
  <title nil="true"/>
  <common-name>3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate</common-name>
  <description>3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate belongs to the phenol ethers, a class of benzenoids within the organic compounds. With an average molecular weight of 1,296 g/mol, 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate is a heavy molecule. Its chemical formula is C66H119O22P1.</description>
  <cas>66172-82-5</cas>
  <pubchem-id>105316</pubchem-id>
  <chemical-formula>C66H119O22P1</chemical-formula>
  <weight>1295.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-02T22:55:47Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:36:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=C(CCCCCCCCC)C=CC=C1</moldb-smiles>
  <moldb-formula>C66H119O22P1</moldb-formula>
  <moldb-inchi>InChI=1S/C66H119O22P/c1-3-5-7-9-11-13-15-21-63-23-17-19-25-65(63)85-59-55-81-51-47-77-43-39-73-35-31-69-27-29-71-33-37-75-41-45-79-49-53-83-57-61-87-89(67,68)88-62-58-84-54-50-80-46-42-76-38-34-72-30-28-70-32-36-74-40-44-78-48-52-82-56-60-86-66-26-20-18-24-64(66)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-62H2,1-2H3,(H,67,68)</moldb-inchi>
  <moldb-inchikey>BNRFIASCHNQOIV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1295.63</moldb-average-mass>
  <moldb-mono-mass type="decimal">1294.793062</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>94999</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM058895</chemdb-id>
  <dsstox-id>DTXSID2070427</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013907</susdat-id>
  <iupac>bis[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0083959</sync-id>
  <structure-inchikey>BNRFIASCHNQOIV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000080000000000000000000000002000000000000000000000000000000000000000000000002000000000000000000000008010000000000000020000008001100000000000000000000000020010000000000000000200000800000000000000000000800000000000000000060000000800000000000010000000000800100000000001000000000000000000000000004000000080000002000000008080000000000000002010000000000000000040000000000004000000000000000080000000200000000000000000000020000000040000020010000000000000020000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������Y���Z���€���`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������ ������`�������(������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`�������(������@(������@(�������`�������`�������`�������`�������`�������`�������`�������`�������`������@h�������@h�������@h�������@h��������������������������������	�	
h�
�h���h��h��h��� ������������������������������������������������� � !�!"�"#�#$�$%�%&amp;�&amp;'�'(�()�)*�*+�+,�+-��+.�./�/0�01�12�23�34�45�56�67�78�89�9:�:;�;&lt;�&lt;=�=&gt;�&gt;?�?@�@A�AB�BC�CD�DE�EF�FG�GH�HI�IJ JKh�KL�LM�MN�NO�OP�PQ�QR�RS�ST�KUh�UVh�VWh�WXh��	h�XJh�B�����	���
�KUVWXJ����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:15:59Z</structure-indexed-at>
</compound>
