8694 <common-name>SUCROSE OCTAACETATE</common-name> <description nil="true"/> <cas>126-14-7</cas> <pubchem-id>219904</pubchem-id> <chemical-formula>C28H38O19</chemical-formula> <weight>678.6</weight> <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">2016-05-19T02:27:50Z</created-at> <updated-at type="dateTime">2026-04-16T22:37:10Z</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>[H][C@]1(COC(C)=O)O[C@@](COC(C)=O)(O[C@@]2([H])O[C@]([H])(COC(C)=O)[C@@]([H])(OC(C)=O)[C@]([H])(OC(C)=O)[C@@]2([H])OC(C)=O)[C@@]([H])(OC(C)=O)[C@]1([H])OC(C)=O</moldb-smiles> <moldb-formula>C28H38O19</moldb-formula> <moldb-inchi>InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1</moldb-inchi> <moldb-inchikey>ZIJKGAXBCRWEOL-SAXBRCJISA-N</moldb-inchikey> <moldb-average-mass type="decimal">678.593</moldb-average-mass> <moldb-mono-mass type="decimal">678.200729004</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>190652</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>CHEM007589</chemdb-id> <dsstox-id>DTXSID3042423</dsstox-id> <toxcast-id>42423</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014139</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>238.08999999999986</moldb-polar-surface-area> <moldb-refractivity>141.9860999999999</moldb-refractivity> <moldb-polarizability>63.36474674972618</moldb-polarizability> <moldb-rotatable-bond-count>21</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.9808503967040854</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.06</moldb-alogps-logp> <moldb-alogps-logs>-3.39</moldb-alogps-logs> <moldb-alogps-solubility>2.76e-01 g/l</moldb-alogps-solubility> </compound>