46066 <common-name>2,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinane</common-name> <description nil="true"/> <cas>68957-94-8</cas> <pubchem-id>111923</pubchem-id> <chemical-formula>C9H21O6P3</chemical-formula> <weight>318.18</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">2016-06-03T12:43:14Z</created-at> <updated-at type="dateTime">2026-08-25T16:06:31Z</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>CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1</moldb-smiles> <moldb-formula>C9H21O6P3</moldb-formula> <moldb-inchi>InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3</moldb-inchi> <moldb-inchikey>PAQZWJGSJMLPMG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">318.182</moldb-average-mass> <moldb-mono-mass type="decimal">318.05509939</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>100355</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>CHEM044961</chemdb-id> <dsstox-id>DTXSID20219011</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007025</stoff-ident-id> <susdat-id>NS00001227</susdat-id> <iupac>2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide</iupac> <moldb-polar-surface-area>78.9</moldb-polar-surface-area> <moldb-refractivity>68.3862</moldb-refractivity> <moldb-polarizability>27.747537241164554</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.995672954718355</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.73</moldb-alogps-logp> <moldb-alogps-logs>-1.29</moldb-alogps-logs> <moldb-alogps-solubility>1.63e+01 g/l</moldb-alogps-solubility> </compound>