67906 <common-name>D-Glucitol hexakis(bromoacetate)</common-name> <description nil="true"/> <cas>94232-79-8</cas> <pubchem-id>44151521</pubchem-id> <chemical-formula>C18H20Br6O12</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">2026-04-03T10:51:57Z</created-at> <updated-at type="dateTime">2026-04-03T10:51:57Z</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>BrCC(=O)OC[C@@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr</moldb-smiles> <moldb-formula>C18H20Br6O12</moldb-formula> <moldb-inchi>InChI=1S/C18H20Br6O12/c19-1-11(25)31-7-9(33-13(27)3-21)17(35-15(29)5-23)18(36-16(30)6-24)10(34-14(28)4-22)8-32-12(26)2-20/h9-10,17-18H,1-8H2/t9-,10+,17-,18-/m1/s1</moldb-inchi> <moldb-inchikey>KXLVTWBHOAXHQM-AYBUMKCRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">907.77</moldb-average-mass> <moldb-mono-mass type="decimal">901.605503</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21167260</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>CHEM063799</chemdb-id> <dsstox-id>DTXSID70241185</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022899</susdat-id> <iupac>[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(2-bromoacetyl)oxy]hexyl] 2-bromoacetate</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>