277094 <common-name>(2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol</common-name> <description>(2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is a chemical compound with the formula C50H58Cl2O12. With an average molecular weight of 921.90 g/mol, (2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>161550502</pubchem-id> <chemical-formula>C50H58Cl2O12</chemical-formula> <weight>921.9</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">2026-08-26T16:54:43Z</created-at> <updated-at type="dateTime">2026-08-26T16:54:43Z</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>C1C2C1CC(C2)OC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5C(C(C(C(O5)CO)O)O)O)Cl.C1C2C1CC(C2)OC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5C(C(C(C(O5)CO)O)O)O)Cl</moldb-smiles> <moldb-formula>C50H58Cl2O12</moldb-formula> <moldb-inchi>InChI=1S/2C25H29ClO6/c2*26-20-6-3-14(25-24(30)23(29)22(28)21(12-27)32-25)8-17(20)7-13-1-4-18(5-2-13)31-19-10-15-9-16(15)11-19/h2*1-6,8,15-16,19,21-25,27-30H,7,9-12H2/t2*15-,16+,19?,21-,22-,23+,24-,25+/m11/s1</moldb-inchi> <moldb-inchikey>WNBJEBIIUQNASP-WXKYAYIDSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">920.3305327</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>CHEM272987</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol</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"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0229275</sync-id> <structure-inchikey>WNBJEBIIUQNASP-UHFFFAOYSA-N</structure-inchikey> 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