<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">22177</id>
  <title nil="true"/>
  <common-name>Hydroxyethyl cellulose</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>24846132</pubchem-id>
  <chemical-formula>C29H52O21</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">2016-05-25T02:54:48Z</created-at>
  <updated-at type="dateTime">2026-03-27T01:19:49Z</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>COC1C(O)C(O)C(OCC2OC(OC3C(O)C(O)C(C)OC3CO)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCCO)OC1CO</moldb-smiles>
  <moldb-formula>C29H52O21</moldb-formula>
  <moldb-inchi>InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3</moldb-inchi>
  <moldb-inchikey>CWSZBVAUYPTXTG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">736.714</moldb-average-mass>
  <moldb-mono-mass type="decimal">736.300108694</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>21270039</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>CHEM021072</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00007183</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>314.83000000000004</moldb-polar-surface-area>
  <moldb-refractivity>157.09810000000002</moldb-refractivity>
  <moldb-polarizability>72.09106345049351</moldb-polarizability>
  <moldb-rotatable-bond-count>15</moldb-rotatable-bond-count>
  <moldb-acceptor-count>21</moldb-acceptor-count>
  <moldb-donor-count>11</moldb-donor-count>
  <moldb-pka-strongest-acidic>11.87698565957211</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.98129267575964</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>-2.51</moldb-alogps-logp>
  <moldb-alogps-logs>-0.55</moldb-alogps-logs>
  <moldb-alogps-solubility>2.06e+02 g/l</moldb-alogps-solubility>
</compound>
