21287 <common-name>Sucrose octasulfate-aluminum complex</common-name> <description nil="true"/> <cas>54182-58-0</cas> <pubchem-id nil="true"/> <chemical-formula>C12H46Al16O67S8</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">2016-05-22T06:53:21Z</created-at> <updated-at type="dateTime">2016-11-09T01:16:09Z</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>[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al++].[Al++].[Al++].[Al++].[Al++].[Al++].[Al++].[Al++].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[H][C@]1(COS([O-])(=O)=O)O[C@@](COS([O-])(=O)=O)(O[C@@]2([H])O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(OS([O-])(=O)=O)[C@]([H])(OS([O-])(=O)=O)[C@@]2([H])OS([O-])(=O)=O)[C@@]([H])(OS([O-])(=O)=O)[C@]1([H])OS([O-])(=O)=O</moldb-smiles> <moldb-formula>C12H46Al16O67S8</moldb-formula> <moldb-inchi>InChI=1S/C12H22O35S8.16Al.32H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;;;;;;;;32*1H2/q;8*+2;8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-40/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1................................................/s1</moldb-inchi> <moldb-inchikey>PUNMAODQIVRTTN-PIPKHVHYSA-A</moldb-inchikey> <moldb-average-mass type="decimal">1950.62</moldb-average-mass> <moldb-mono-mass type="decimal">1949.5004164</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM020182</chemdb-id> <dsstox-id>DTXSID1048966</dsstox-id> <toxcast-id>48966</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>octaaluminium(3+) ion octakis(λ²-aluminium(2+) ion) [(2R,3R,4S,5S)-3,4-bis(sulfonatooxy)-5-[(sulfonatooxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl sulfate dotriacontahydroxide</iupac> </compound>