<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">78075</id>
  <title nil="true"/>
  <common-name>Pentaacetyl-alpha-D-glucopyranose</common-name>
  <description nil="true"/>
  <cas>68069-84-1</cas>
  <pubchem-id>6455726</pubchem-id>
  <chemical-formula>C16H22O11</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">2026-04-04T11:28:43Z</created-at>
  <updated-at type="dateTime">2026-04-04T11:28:43Z</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>CC(=O)O[C@]1(O[C@H](CO)[C@@H](O)[C@@](O)(C(C)=O)[C@]1(OC(C)=O)C(C)=O)C(C)=O</moldb-smiles>
  <moldb-formula>C16H22O11</moldb-formula>
  <moldb-inchi>InChI=1S/C16H22O11/c1-7(18)14(24)13(23)12(6-17)27-16(9(3)20,26-11(5)22)15(14,8(2)19)25-10(4)21/h12-13,17,23-24H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1</moldb-inchi>
  <moldb-inchikey>CROSTDAMOFQQPQ-LJIZCISZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">390.341</moldb-average-mass>
  <moldb-mono-mass type="decimal">390.116212</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4957979</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>CHEM073968</chemdb-id>
  <dsstox-id>DTXSID00218284</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00036387</susdat-id>
  <iupac>[(2S,3S,4S,5R,6R)-2,3,4-triacetyl-2-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate</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"/>
</compound>
