26890 <common-name>Heptulose</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>124823</pubchem-id> <chemical-formula>C7H15O9P</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">2016-05-25T22:36:15Z</created-at> <updated-at type="dateTime">2026-04-13T22:45:52Z</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>DB04195</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>C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C7H15O9P</moldb-formula> <moldb-inchi>InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1</moldb-inchi> <moldb-inchikey>QZBAZODTRUGOQS-XUUWZHRGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">274.1624</moldb-average-mass> <moldb-mono-mass type="decimal">274.04536859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM025785</chemdb-id> <dsstox-id>DTXSID70919034</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070163</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>156.91</moldb-polar-surface-area> <moldb-refractivity>51.818099999999994</moldb-refractivity> <moldb-polarizability>22.393891513066464</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>1.1455150914412342</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9813195457862927</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-2.08</moldb-alogps-logp> <moldb-alogps-logs>-0.94</moldb-alogps-logs> <moldb-alogps-solubility>3.18e+01 g/l</moldb-alogps-solubility> </compound>