<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365100</id>
  <title nil="true"/>
  <common-name>[(2s,3r,4r)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2,3-bis(hydroxymethyl)oxetan-2-yl] dihydrogen phosphate</common-name>
  <description>[(2s,3r,4r)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2,3-bis(hydroxymethyl)oxetan-2-yl] dihydrogen phosphate is a chemical compound with the formula C9H13N6O7P. It has an average molecular weight of 348.21 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3077889</pubchem-id>
  <chemical-formula>C9H13N6O7P</chemical-formula>
  <weight>348.21</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">2026-09-01T15:32:34Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:32:34Z</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(N=NN=C2N1C3C(C(O3)(CO)OP(=O)(O)O)CO)N</moldb-smiles>
  <moldb-formula>C9H13N6O7P</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13N6O7P/c10-6-5-7(13-14-12-6)15(3-11-5)8-4(1-16)9(2-17,21-8)22-23(18,19)20/h3-4,8,16-17H,1-2H2,(H2,10,12,13)(H2,18,19,20)/t4-,8-,9-/m1/s1</moldb-inchi>
  <moldb-inchikey>QUIANSREZZVRQV-AZHPSCLISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">348.0583338</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-4.4</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>CHEM360993</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>[(2s,3r,4r)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2,3-bis(hydroxymethyl)oxetan-2-yl] dihydrogen phosphate</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>Organoheterocyclic compounds</superklass>
  <klass>Triazines</klass>
  <subklass>Aminotriazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315059</sync-id>
  <structure-inchikey>QUIANSREZZVRQV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000008000000080000000000000000020a0000002000000000000080000000000000000000000002200000000000000001000000002000000002000000000000040000080000000800020800000000100000000000000000000000000010000010000000000000000000000000900000000000000000000100040000008020000010000000000800000081080000000000000000000000000000000000000000000000000080000000400000000085000000000000008004001000000000000000000000000000000040000008000000800800000000000000000001000020000000240000000000800000000040000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@(������@(������@(������@(������@(������@(������@(������@(�������`�������`������� ������ ������`�������`������� ������ ������(�������`�������`�������`�������`�������h���������h���h���h���h���h���h���h���h��	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:17Z</structure-indexed-at>
</compound>
