36280 <common-name>Prostaglandin I2</common-name> <description nil="true"/> <cas>35121-78-9</cas> <pubchem-id>5462154</pubchem-id> <chemical-formula>C20H32O5</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">2016-05-26T05:33:01Z</created-at> <updated-at type="dateTime">2026-05-14T16:59:02Z</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>DB01240</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>CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(C[C@H]12)=CCCCC(O)=O</moldb-smiles> <moldb-formula>C20H32O5</moldb-formula> <moldb-inchi>InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1</moldb-inchi> <moldb-inchikey>KAQKFAOMNZTLHT-OZUDYXHBSA-N</moldb-inchikey> <moldb-average-mass type="decimal">352.4651</moldb-average-mass> <moldb-mono-mass type="decimal">352.224974134</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.42</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>28589780</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>CHEM035175</chemdb-id> <dsstox-id>DTXSID5022988</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007986</susdat-id> <iupac>5-[(2Z,3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-2-ylidene]pentanoic acid</iupac> <moldb-polar-surface-area>86.99</moldb-polar-surface-area> <moldb-refractivity>99.00689999999999</moldb-refractivity> <moldb-polarizability>41.46702176830266</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>4.429290512385807</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.626006643085781</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.83</moldb-alogps-logp> <moldb-alogps-logs>-3.41</moldb-alogps-logs> <moldb-alogps-solubility>1.36e-01 g/l</moldb-alogps-solubility> </compound>