24669 <common-name>Acadesine 5'-monophosphate</common-name> <description nil="true"/> <cas>3031-94-5</cas> <pubchem-id nil="true"/> <chemical-formula>C9H15N4O8P</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">2016-05-25T21:08:55Z</created-at> <updated-at type="dateTime">2026-05-14T17:13:22Z</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>DB01700</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>NC1=C(N=CN1C1OC(COP(O)(O)=O)C(O)C1O)C(O)=N</moldb-smiles> <moldb-formula>C9H15N4O8P</moldb-formula> <moldb-inchi>InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)</moldb-inchi> <moldb-inchikey>NOTGFIUVDGNKRI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">338.2112</moldb-average-mass> <moldb-mono-mass type="decimal">338.062749988</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-4.8</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>CHEM023564</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>{[(2R,3S,4R,5R)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid</iupac> <moldb-polar-surface-area>203.37999999999997</moldb-polar-surface-area> <moldb-refractivity>69.1421</moldb-refractivity> <moldb-polarizability>28.56573109900927</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>1.2245998962218518</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.804279678031426</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.16</moldb-alogps-logp> <moldb-alogps-logs>-2.08</moldb-alogps-logs> <moldb-alogps-solubility>2.79e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Nucleosides, nucleotides, and analogues</superklass> <klass>Imidazole ribonucleosides and ribonucleotides</klass> <subklass>1-ribosyl-imidazolecarboxamides</subklass> <paper-count type="integer">590</paper-count> <sync-id>CED0024669</sync-id> </compound>