29624 <common-name>Acevaltrate</common-name> <description nil="true"/> <cas>25161-41-5</cas> <pubchem-id>65717</pubchem-id> <chemical-formula>C24H32O10</chemical-formula> <weight>480.5</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">2016-05-26T00:30:58Z</created-at> <updated-at type="dateTime">2026-08-22T03:59:33Z</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>DB21179</drugbank-id> <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>CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)(C)OC(C)=O)C3(CO3)C12</moldb-smiles> <moldb-formula>C24H32O10</moldb-formula> <moldb-inchi>InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3</moldb-inchi> <moldb-inchikey>FWKBQAVMKVZEOT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">480.5049</moldb-average-mass> <moldb-mono-mass type="decimal">480.199547244</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>59141</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>CHEM028519</chemdb-id> <dsstox-id>DTXSID30179834</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00027821</susdat-id> <iupac>[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate</iupac> <moldb-polar-surface-area>126.96000000000002</moldb-polar-surface-area> <moldb-refractivity>116.08749999999996</moldb-refractivity> <moldb-polarizability>49.76155288473865</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>18.236658166565398</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.145194191479699</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.71</moldb-alogps-logp> <moldb-alogps-logs>-4.39</moldb-alogps-logs> <moldb-alogps-solubility>1.97e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Tetracarboxylic acids and derivatives</subklass> <paper-count type="integer">89</paper-count> <sync-id>CED0020900</sync-id> </compound>