348414 <common-name>(2s,3s,4s,5r)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-3-oxo-1,2-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</common-name> <description>(2s,3s,4s,5r)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-3-oxo-1,2-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C28H33NO9. With an average molecular weight of 527.60 g/mol, (2s,3s,4s,5r)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-3-oxo-1,2-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>154700146</pubchem-id> <chemical-formula>C28H33NO9</chemical-formula> <weight>527.6</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">2026-08-31T12:26:01Z</created-at> <updated-at type="dateTime">2026-08-31T12:26:01Z</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>C1CN(CCC1CC2CC3=CC(=C(C=C3C2=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)CC5=CC=CC=C5</moldb-smiles> <moldb-formula>C28H33NO9</moldb-formula> <moldb-inchi>InChI=1S/C28H33NO9/c30-20-12-17-11-18(10-15-6-8-29(9-7-15)14-16-4-2-1-3-5-16)22(31)19(17)13-21(20)37-28-25(34)23(32)24(33)26(38-28)27(35)36/h1-5,12-13,15,18,23-26,28,30,32-34H,6-11,14H2,(H,35,36)/t18?,23-,24-,25+,26-,28?/m0/s1</moldb-inchi> <moldb-inchikey>ZPRHUWFRFRXVHF-XUCPCBLWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">527.2155316</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.2</logp> <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>CHEM344307</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,3s,4s,5r)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-3-oxo-1,2-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</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>CED0298748</sync-id> <structure-inchikey>ZPRHUWFRFRXVHF-UHFFFAOYSA-N</structure-inchikey> 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