88223 <common-name>6-Thioinosine 2',3',5'-triacetate</common-name> <description>6-Thioinosine 2',3',5'-triacetate belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C16H18N4O7S and an average molecular weight of 410.40 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H18N4O7S</chemical-formula> <weight nil="true"/> <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">2026-04-04T22:39:24Z</created-at> <updated-at type="dateTime">2026-04-04T22:39:24Z</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>CC(=O)OCC1OC(C(OC(C)=O)C1OC(C)=O)N1C=NC2=C1N=CN=C2S</moldb-smiles> <moldb-formula>C16H18N4O7S</moldb-formula> <moldb-inchi>InChI=1/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)</moldb-inchi> <moldb-inchikey>MENHRYRSGYYUJA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">410.4</moldb-average-mass> <moldb-mono-mass type="decimal">410.0896199</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM084116</chemdb-id> <dsstox-id>DTXSID80952598</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048925</susdat-id> <iupac nil="true"/> <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>Nucleosides, nucleotides, and analogues</superklass> <klass>Purine nucleosides</klass> <subklass nil="true"/> <paper-count type="integer">2</paper-count> <sync-id>CED0053969</sync-id> <structure-inchikey>MENHRYRSGYYUJA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000108001000000000000100000040000200040000400000000000000000000000000000000000020000000000000000000000000004000002040000000000800400000002000000000208000000001000000000000000000000000000100000000020000000000000000000009000008000004000000005000100000400000000100000002008000000000c0100000000000000004000000000000000000000000000000080000000000000000080000000000000000000001000000000000000000000000000000000000008000000800000000000000000001200000000000400040000000000440000002000000080000000000000000</structure-fingerprint> 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