36367 <common-name>CDP</common-name> <description nil="true"/> <cas>63-38-7</cas> <pubchem-id>6132</pubchem-id> <chemical-formula>C9H15N3O11P2</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">2016-05-26T05:37:01Z</created-at> <updated-at type="dateTime">2026-05-14T18:09:03Z</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>DB04555</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=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C9H15N3O11P2</moldb-formula> <moldb-inchi>InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1</moldb-inchi> <moldb-inchikey>ZWIADYZPOWUWEW-XVFCMESISA-N</moldb-inchikey> <moldb-average-mass type="decimal">403.1764</moldb-average-mass> <moldb-mono-mass type="decimal">403.018181361</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>5902</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>CHEM035262</chemdb-id> <dsstox-id>DTXSID501014481</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070402</susdat-id> <iupac>[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid</iupac> <moldb-polar-surface-area>221.66999999999996</moldb-polar-surface-area> <moldb-refractivity>76.2906</moldb-refractivity> <moldb-polarizability>31.38641764457615</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>1.7787851127589387</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.03320007450946405</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-1.38</moldb-alogps-logp> <moldb-alogps-logs>-1.60</moldb-alogps-logs> <moldb-alogps-solubility>1.01e+01 g/l</moldb-alogps-solubility> </compound>