<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">23616</id>
  <title nil="true"/>
  <common-name>Maltotetraose</common-name>
  <description nil="true"/>
  <cas>34612-38-9</cas>
  <pubchem-id>123966</pubchem-id>
  <chemical-formula>C24H42O21</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">2016-05-25T18:38:00Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:31:55Z</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>DB02237</drugbank-id>
  <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>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O</moldb-smiles>
  <moldb-formula>C24H42O21</moldb-formula>
  <moldb-inchi>InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1</moldb-inchi>
  <moldb-inchikey>LUEWUZLMQUOBSB-AYQJAVFRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">666.5777</moldb-average-mass>
  <moldb-mono-mass type="decimal">666.221858406</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-8.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>110488</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>CHEM022511</chemdb-id>
  <dsstox-id>DTXSID50865722</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00073038</susdat-id>
  <iupac>(2R,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal</iupac>
  <moldb-polar-surface-area>347.83000000000004</moldb-polar-surface-area>
  <moldb-refractivity>133.16330000000005</moldb-refractivity>
  <moldb-polarizability>62.11925843079608</moldb-polarizability>
  <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count>
  <moldb-acceptor-count>21</moldb-acceptor-count>
  <moldb-donor-count>14</moldb-donor-count>
  <moldb-pka-strongest-acidic>11.191626386596173</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.6853222270648764</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>-2.69</moldb-alogps-logp>
  <moldb-alogps-logs>-0.28</moldb-alogps-logs>
  <moldb-alogps-solubility>3.50e+02 g/l</moldb-alogps-solubility>
</compound>
