19819 <common-name>D-Valine</common-name> <description>D-Valine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C5H11NO2 and an average molecular weight of 117.15 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>640-68-6</cas> <pubchem-id>71563</pubchem-id> <chemical-formula>C5H11NO2</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">2016-05-22T05:28:23Z</created-at> <updated-at type="dateTime">2026-04-05T17:41:28Z</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>CC(C)[C@@H](N)C(O)=O</moldb-smiles> <moldb-formula>C5H11NO2</moldb-formula> <moldb-inchi>InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1</moldb-inchi> <moldb-inchikey>KZSNJWFQEVHDMF-SCSAIBSYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">117.1463</moldb-average-mass> <moldb-mono-mass type="decimal">117.078978601</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>CHEM018714</chemdb-id> <dsstox-id>DTXSID0046064</dsstox-id> <toxcast-id>46064</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00079647</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>63.32</moldb-polar-surface-area> <moldb-refractivity>29.492900000000002</moldb-refractivity> <moldb-polarizability>12.189707310409453</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>2.7172733818557804</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.59917638292861</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-2.29</moldb-alogps-logp> <moldb-alogps-logs>0.26</moldb-alogps-logs> <moldb-alogps-solubility>2.14e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1667</paper-count> <sync-id>CED0007014</sync-id> <structure-inchikey>KZSNJWFQEVHDMF-SCSAIBSYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000000000001000000000000002000010000000000000000000000000000000000000000000000000000020100000040000000000000000000100000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000800000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20010006000800000000080000000000000104000000200040000000044000000000800000000001000080000004200084008c00010000442000a000008011000000000000400000200062010000000000400000220000002000000900042000000040000000001000503000002000801001056004111800000010000200440008040000000800020088000000100400024440100000040880000000000043000000004000000008000028001042c0020000000800000000100000000000000000044000000000020000410000000000000000400000000000080000000000080000000000004000000000000000000000004000200000000050400002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAIAAAABwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBiA0AAAAAQEEBwBgAAAAAQIGACgAAAADBAgAaAAAAAMBAQgA KAAAAAMCCwABAAECAAEDAAMEAAMFAAUGIAUHKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:48Z</structure-indexed-at> </compound>