<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293309</id>
  <title nil="true"/>
  <common-name>2-amino-4-[[5-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid</common-name>
  <description>2-amino-4-[[5-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C14H20N6O5S and an average molecular weight of 384.41 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>13872444</pubchem-id>
  <chemical-formula>C14H20N6O5S</chemical-formula>
  <weight>384.41</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">2026-08-28T08:39:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:39:43Z</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>C1=NC2=C(NN=C2C(=N1)N)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O</moldb-smiles>
  <moldb-formula>C14H20N6O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C14H20N6O5S/c15-5(14(23)24)1-2-26-3-6-10(21)11(22)12(25-6)8-7-9(20-19-8)13(16)18-4-17-7/h4-6,10-12,21-22H,1-3,15H2,(H,19,20)(H,23,24)(H2,16,17,18)</moldb-inchi>
  <moldb-inchikey>IRJBTFARPMCXJX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">384.1215889</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-4.7</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>CHEM289202</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>2-amino-4-[[5-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic 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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244834</sync-id>
  <structure-inchikey>IRJBTFARPMCXJX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000102080a000000800000000000000000000000000000000000000000000000000000000010000002004000000000000000000000000400000000000000010000000000000200000000020800200000000000040001000000000002000410000000000000000000000000000000000004020000000000000140000000200008000800000200000000000001002000000000000000000400000000000000000000000000001080000000000100000085000000100080000000000000000080000000000001000000000000000000000000800000000000000010000200000000840000040000000000448000000000000000000080200000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@(������@(������@(������@8�������@(������@(������@(������@(�������h��������`�������`�������`�������`������� ������`������� ������`�������`�������`�������(�������(�������h��������`�������`�������`��������h���h���h���h���h���h���h���h��	 �
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  <structure-indexed-at type="dateTime">2026-09-19T05:05:15Z</structure-indexed-at>
</compound>
