46102 <common-name>1,6:3,4-dianhydro-2-O-tosyl-β-D-galactopyranose</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>98062235</pubchem-id> <chemical-formula>C13H14O6S</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">2016-06-03T12:44:52Z</created-at> <updated-at type="dateTime">2026-03-26T20:10:09Z</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>[H][C@@]12O[C@@]1([H])[C@@]([H])(OS(=O)(=O)C1=CC=C(C)C=C1)[C@@]1([H])OC[C@@]2([H])O1</moldb-smiles> <moldb-formula>C13H14O6S</moldb-formula> <moldb-inchi>InChI=1S/C13H14O6S/c1-7-2-4-8(5-3-7)20(14,15)19-12-11-10(18-11)9-6-16-13(12)17-9/h2-5,9-13H,6H2,1H3/t9-,10+,11-,12-,13+/m1/s1</moldb-inchi> <moldb-inchikey>XIOHREILWINAMO-MLGHIDQZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">298.31</moldb-average-mass> <moldb-mono-mass type="decimal">298.051109345</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2735736</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>CHEM044997</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007068</stoff-ident-id> <susdat-id>NS00002204</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>74.36000000000001</moldb-polar-surface-area> <moldb-refractivity>66.84590000000001</moldb-refractivity> <moldb-polarizability>32.514515617131195</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.8487289959981017</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>0.83</moldb-alogps-logp> <moldb-alogps-logs>-2.00</moldb-alogps-logs> <moldb-alogps-solubility>2.98e+00 g/l</moldb-alogps-solubility> </compound>