<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">99210</id>
  <title nil="true"/>
  <common-name>Ammonium hexacosyl sulphate</common-name>
  <description>Ammonium hexacosyl sulphate belongs to the sulfuric acid esters, a subclass of organic sulfuric acids and derivatives within the organic compounds. It has the formula C26H54O4S and an average molecular weight of 479.81 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>172777</pubchem-id>
  <chemical-formula>C26H54O4S</chemical-formula>
  <weight>462.8</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">2026-04-05T06:43:24Z</created-at>
  <updated-at type="dateTime">2026-08-22T07:07:37Z</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>N.CCCCCCCCCCCCCCCCCCCCCCCCCCOS(O)(=O)=O</moldb-smiles>
  <moldb-formula>C26H54O4S</moldb-formula>
  <moldb-inchi>InChI=1/C26H54O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;/h2-26H2,1H3,(H,27,28,29);1H3</moldb-inchi>
  <moldb-inchikey>ZUNPGIOIGBARJG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">479.81</moldb-average-mass>
  <moldb-mono-mass type="decimal">462.3742812</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>12.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM095103</chemdb-id>
  <dsstox-id>DTXSID00991641</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061976</susdat-id>
  <iupac>hexacosyl hydrogen sulfate</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>Organic acids and derivatives</superklass>
  <klass>Organic sulfuric acids and derivatives</klass>
  <subklass>Sulfuric acid esters</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0064474</sync-id>
  <structure-inchikey>ZUNPGIOIGBARJG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000801000000000000000000000000000000000000000000000000002000000000000020000000000000000000000000000000000000800000000000000000000018000000000000020000000000100000000000000000000000020010000000000000000000000000000002000000000000000000000000000400040000000000000000000010400000000000000000000000040000000000000000000000000000000000000000000000008000000080000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAHgAAAIABBwBAAAAAAwYAYAAAAAED
BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA
AAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYA
YAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAgYAYAAAAAICBgBgAAAAAgIIACAAAAACEAAgAAAABggAYAAAAAEBCAAo
AAAAAwIIACgAAAADAgsBAgACAwADBAAEBQAFBgAGBwAHCAAICQAJCgAKCwAL
DAAMDQANDgAODwAPEAAQEQAREgASEwATFAAUFQAVFgAWFwAXGAAYGQAZGgAa
GwAbHAAcHQAcHggCHB8IAkIAAAAAFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:38:38Z</structure-indexed-at>
</compound>
