41475 <common-name>Adenosine 2',3'-cyclic phosphate</common-name> <description nil="true"/> <cas>634-01-5</cas> <pubchem-id>2024</pubchem-id> <chemical-formula>C10H12N5O6P</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">2016-05-26T20:34:57Z</created-at> <updated-at type="dateTime">2026-04-04T09:12:13Z</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>NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12</moldb-smiles> <moldb-formula>C10H12N5O6P</moldb-formula> <moldb-inchi>InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)</moldb-inchi> <moldb-inchikey>KMYWVDDIPVNLME-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">329.2059</moldb-average-mass> <moldb-mono-mass type="decimal">329.052519653</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>1947</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>CHEM040370</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035430</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>154.84</moldb-polar-surface-area> <moldb-refractivity>70.2895</moldb-refractivity> <moldb-polarizability>28.375450838587973</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>1.7592537911346091</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.9887015214332004</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>-2.51</moldb-alogps-logp> <moldb-alogps-logs>-1.96</moldb-alogps-logs> <moldb-alogps-solubility>3.59e+00 g/l</moldb-alogps-solubility> </compound>