<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">294205</id>
  <title nil="true"/>
  <common-name>3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium</common-name>
  <description>3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. With an average molecular weight of 611.60 g/mol, 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium is a heavy molecule. Its chemical formula is C14H26F7N2O10S3+.</description>
  <cas nil="true"/>
  <pubchem-id>139598249</pubchem-id>
  <chemical-formula>C14H26F7N2O10S3+</chemical-formula>
  <weight>611.6</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">2026-08-28T09:47:41Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:47:41Z</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>C[N+](C)(CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C14H26F7N2O10S3+</moldb-formula>
  <moldb-inchi>InChI=1S/C14H25F7N2O10S3/c1-23(2,7-11(25)9-35(29,30)31)5-3-4-22(6-10(24)8-34(26,27)28)36(32,33)14(20,21)12(15,16)13(17,18)19/h10-11,24-25H,3-9H2,1-2H3,(H-,26,27,28,29,30,31)/p+1</moldb-inchi>
  <moldb-inchikey>ZRFZLMATEPZSPR-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">611.0637807</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1</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>CHEM290098</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium</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 sulfonic acids and derivatives</klass>
  <subklass>Organosulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245686</sync-id>
  <structure-inchikey>ZRFZLMATEPZSPR-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40000000020000100000800000002000000000000000000000000000100000000000000000000000000000020000000000000002080000000000000000000000000000100000000000008000000008000020000000000000000000000000000100000000010000010000000000004200000040000000000000000800000000100000000040000000404000000000000000000000000000008010000000000000000000000000800000000000000002800010000000040000080000000000000000000000000000000010000000000000000000000000000020000000100000000000000000000100080000000000010000800001000000000000080001000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���#���€���`������ "�������`�������`�������`�������`������� ������`�������`�������`������� ������(�������(�������`�������`������� ������(�������(������� ������ ������ ����	� ����	� ����	� ����	� ����	� ����	� ����	� ������`�������`�������`������� ������(�������(�������`�������`�������������������������������	�	
�
���
���
���������������������������������������������������������� ���!���"��#�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:53Z</structure-indexed-at>
</compound>
