<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">82619</id>
  <title nil="true"/>
  <common-name>2',3'-Isopropylideneguanosine</common-name>
  <description>2',3'-Isopropylideneguanosine is a chemical compound with the formula C13H17N5O5. It has an average molecular weight of 323.31 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C13H17N5O5</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">2026-04-04T18:59:06Z</created-at>
  <updated-at type="dateTime">2026-04-04T18:59:06Z</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>[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]2([H])OC(C)(C)O[C@]12[H]</moldb-smiles>
  <moldb-formula>C13H17N5O5</moldb-formula>
  <moldb-inchi>InChI=1/C13H17N5O5/c1-11(2)12(21)5(3-19)23-9(13(11,12)22)18-4-15-6-7(18)16-10(14)17-8(6)20/h4-5,9,19,21-22H,3H2,1-2H3,(H3,14,16,17,20)</moldb-inchi>
  <moldb-inchikey>VABFJACOLLDIOS-AMHAGXNJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">323.309</moldb-average-mass>
  <moldb-mono-mass type="decimal">323.1229686</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>CHEM078512</chemdb-id>
  <dsstox-id>DTXSID40957600</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00042162</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">5</paper-count>
  <sync-id>CED0042709</sync-id>
  <structure-inchikey>XKPDAYWPKILAMO-IOSLPCCCSA-N</structure-inchikey>
  <structure-fingerprint>10800000200000000000000000000020000006000000000000000000000000000008000000002000000000000000000004000000000000000000000000000040000000220100000000800080000000000000000000000000000000010080000000000800000000100000000900000000000000008001100000000048020000010000208000000000000080000000004000000008000020000000000000000000000000080000000000000000080000000000000008000000000000000040002000000000000000000000100000000800004000080000000001000000040001000044000000000040000000000000000000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€�� 4��������`�������`������� ����� 4�������@(������@h�������@(������@(������@(������@8�������@(�������h�������@(������@(�������h������� 4�������� ������ ������`�������`������� ����� 4������������������������h���h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:28:44Z</structure-indexed-at>
</compound>
