8690 <common-name>SUCRALOSE</common-name> <description nil="true"/> <cas>56038-13-2</cas> <pubchem-id>71485</pubchem-id> <chemical-formula>C12H19Cl3O8</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">2016-05-19T02:27:45Z</created-at> <updated-at type="dateTime">2026-05-14T19:47:42Z</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>DB15049</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>[H][C@]1(CCl)O[C@@](CCl)(O[C@@]2([H])O[C@]([H])(CO)[C@]([H])(Cl)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O</moldb-smiles> <moldb-formula>C12H19Cl3O8</moldb-formula> <moldb-inchi>InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1</moldb-inchi> <moldb-inchikey>BAQAVOSOZGMPRM-QBMZZYIRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">397.63</moldb-average-mass> <moldb-mono-mass type="decimal">396.0145507</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.47</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4243140</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>CHEM007585</chemdb-id> <dsstox-id>DTXSID1040245</dsstox-id> <toxcast-id>40245</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000320</susdat-id> <iupac>(2R,3R,4R,5R,6R)-2-{[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5-chloro-6-(hydroxymethyl)oxane-3,4-diol</iupac> <moldb-polar-surface-area>128.84</moldb-polar-surface-area> <moldb-refractivity>77.92710000000001</moldb-refractivity> <moldb-polarizability>34.87563914113379</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>11.908519815693234</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9661279707095742</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-0.39</moldb-alogps-logp> <moldb-alogps-logs>-1.49</moldb-alogps-logs> <moldb-alogps-solubility>1.29e+01 g/l</moldb-alogps-solubility> </compound>