<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353128</id>
  <title nil="true"/>
  <common-name>4-amino-6-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid</common-name>
  <description>4-amino-6-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid has the chemical formula C34H27N5O17S4. With an average molecular weight of 905.90 g/mol, 4-amino-6-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>106554</pubchem-id>
  <chemical-formula>C34H27N5O17S4</chemical-formula>
  <weight>905.9</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">2026-08-31T19:52:20Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:52:20Z</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>COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C34H27N5O17S4</moldb-formula>
  <moldb-inchi>InChI=1S/C34H27N5O17S4/c1-55-24-10-15(3-6-20(24)36-38-22-8-5-19-26(58(46,47)48)14-27(59(49,50)51)31(35)30(19)33(22)41)16-4-7-21(25(11-16)56-2)37-39-32-28(60(52,53)54)12-17-9-18(57(43,44)45)13-23(40)29(17)34(32)42/h3-14,40-42H,35H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)</moldb-inchi>
  <moldb-inchikey>YUIBLTWBNLGISF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">905.0284791</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM349021</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-6-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-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>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303412</sync-id>
  <structure-inchikey>YUIBLTWBNLGISF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000021000000800000000020000000000000000802000000000004000003000000000010000000200000000008000000000000000000000000000000000000000000000000080000020200000280000000001000100040000000080000040000100000008440000001000008000000010000004000000000000000080000000400000000000000000000000008010000a0000040000000000000000000000000000000800040000080000000000000000004000088001000000008080040000000000002100000000000800400000000002000004000200000000000000000000000001020040000000000000000000000020028000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&lt;���A���€���`�������(������@(������@(������@h�������@h�������@(������@h�������@(������@h�������@(������@(������@h�������@h��������(�������(������@(������@(������@(������@(������@h�������@(������@h�������@(������@h�������@(������� ������(�������(�������`������� ������(�������(�������`�������h��������h��������(�������`�������(�������(������@(������@(������@(������@(������@h�������@h�������@(������@h�������@(������@(�������h�������� ������(�������(�������`������� ������(�������(�������`�������h������������ ��h���h���h���h���h��� �	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:50:48Z</structure-indexed-at>
</compound>
