<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">37110</id>
  <title nil="true"/>
  <common-name>2-Methylguanosine</common-name>
  <description nil="true"/>
  <cas>2140-77-4</cas>
  <pubchem-id>3035422</pubchem-id>
  <chemical-formula>C11H15N5O5</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">2016-05-26T07:09:08Z</created-at>
  <updated-at type="dateTime">2026-04-02T23:38:52Z</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>CNC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</moldb-smiles>
  <moldb-formula>C11H15N5O5</moldb-formula>
  <moldb-inchi>InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1</moldb-inchi>
  <moldb-inchikey>SLEHROROQDYRAW-KQYNXXCUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">297.2673</moldb-average-mass>
  <moldb-mono-mass type="decimal">297.107318615</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>464876</chemspider-id>
  <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>CHEM036005</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014684</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>141.23000000000002</moldb-polar-surface-area>
  <moldb-refractivity>68.9623</moldb-refractivity>
  <moldb-polarizability>28.385544043702183</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>9</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.91761367621541</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>2.580148162857933</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>-1.54</moldb-alogps-logp>
  <moldb-alogps-logs>-1.41</moldb-alogps-logs>
  <moldb-alogps-solubility>1.16e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Nucleosides, nucleotides, and analogues</superklass>
  <klass>Purine nucleosides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">5351</paper-count>
  <sync-id>CED0004283</sync-id>
</compound>
