81148 <common-name>D-Glucitol 3-(bromoacetate)</common-name> <description nil="true"/> <cas>94201-41-9</cas> <pubchem-id>44147332</pubchem-id> <chemical-formula>C8H15Br1O7</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">2026-04-04T17:20:20Z</created-at> <updated-at type="dateTime">2026-04-04T17:20:20Z</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>OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)CO</moldb-smiles> <moldb-formula>C8H15Br1O7</moldb-formula> <moldb-inchi>InChI=1S/C8H15BrO7/c9-1-6(14)16-8(5(13)3-11)7(15)4(12)2-10/h4-5,7-8,10-13,15H,1-3H2/t4-,5+,7-,8+/m1/s1</moldb-inchi> <moldb-inchikey>OSBOGWJBMWVGFO-IXROVEORSA-N</moldb-inchikey> <moldb-average-mass type="decimal">303.105</moldb-average-mass> <moldb-mono-mass type="decimal">302.000116</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21167138</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>CHEM077041</chemdb-id> <dsstox-id>DTXSID70241004</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040246</susdat-id> <iupac>[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] 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>