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  <id type="integer">347729</id>
  <title nil="true"/>
  <common-name>4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3-disulfonic acid</common-name>
  <description>4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3-disulfonic acid has the chemical formula C28H23N5O18S5. With an average molecular weight of 877.80 g/mol, 4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136192522</pubchem-id>
  <chemical-formula>C28H23N5O18S5</chemical-formula>
  <weight>877.8</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">2026-08-31T11:32:12Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:32:12Z</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>C1=CC2=C(C(=C(C=C2C=C1N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)N=NC5=C(C=CC(=C5)S(=O)(=O)CCOS(=O)(=O)O)O)O</moldb-smiles>
  <moldb-formula>C28H23N5O18S5</moldb-formula>
  <moldb-inchi>InChI=1S/C28H23N5O18S5/c29-25-22(54(42,43)44)12-21(53(39,40)41)17-4-5-18(28(36)24(17)25)31-30-14-1-3-16-13(9-14)10-23(55(45,46)47)26(27(16)35)33-32-19-11-15(2-6-20(19)34)52(37,38)8-7-51-56(48,49)50/h1-6,9-12,34-36H,7-8,29H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)</moldb-inchi>
  <moldb-inchikey>UDJPBOXEAPJNTD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">876.9641648</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM343622</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>4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3-disulfonic acid</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>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298067</sync-id>
  <structure-inchikey>UDJPBOXEAPJNTD-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:17Z</structure-indexed-at>
</compound>
