345915 <common-name>5-amino-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-6-[(4-ethenylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid</common-name> <description>5-amino-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-6-[(4-ethenylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid has the chemical formula C27H21BrN6O13S4. With an average molecular weight of 845.70 g/mol, 5-amino-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-6-[(4-ethenylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>165359843</pubchem-id> <chemical-formula>C27H21BrN6O13S4</chemical-formula> <weight>845.7</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">2026-08-31T09:00:36Z</created-at> <updated-at type="dateTime">2026-08-31T09:00:36Z</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=CS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=C(C3=C2N)O)N=NC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C27H21BrN6O13S4</moldb-formula> <moldb-inchi>InChI=1S/C27H21BrN6O13S4/c1-3-48(37,38)17-7-4-15(5-8-17)31-33-24-20(50(42,43)44)10-14-11-21(51(45,46)47)25(26(35)22(14)23(24)29)34-32-18-12-16(30-27(36)13(2)28)6-9-19(18)49(39,40)41/h3-12,35H,1-2,29H2,(H,30,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)</moldb-inchi> <moldb-inchikey>DKTNZPUAQKAVBB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">843.92328</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM341808</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>5-amino-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-6-[(4-ethenylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0296269</sync-id> <structure-inchikey>DKTNZPUAQKAVBB-UHFFFAOYSA-N</structure-inchikey> 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