18477 <common-name>5-(Hydroxymethyl-2-furoyl)glycine</common-name> <description>5-(Hydroxymethyl-2-furoyl)glycine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C8H9NO5 and an average molecular weight of 199.16 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>38716-68-6</cas> <pubchem-id nil="true"/> <chemical-formula>C8H9NO5</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">2016-05-22T04:16:54Z</created-at> <updated-at type="dateTime">2026-04-06T11:25:43Z</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>OCC1=CC=C(O1)C(=O)NCC(O)=O</moldb-smiles> <moldb-formula>C8H9NO5</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)</moldb-inchi> <moldb-inchikey>HBULKUDERNWOBN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">199.162</moldb-average-mass> <moldb-mono-mass type="decimal">199.048072394</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>CHEM017372</chemdb-id> <dsstox-id>DTXSID5033096</dsstox-id> <toxcast-id>33096</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00121838</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>99.77</moldb-polar-surface-area> <moldb-refractivity>45.202</moldb-refractivity> <moldb-polarizability>18.589221210055936</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>3.3954424325078265</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9852374413517926</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.57</moldb-alogps-logp> <moldb-alogps-logs>-1.55</moldb-alogps-logs> <moldb-alogps-solubility>5.62e+00 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">6</paper-count> <sync-id>CED0039710</sync-id> <structure-inchikey>HBULKUDERNWOBN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000004000002000000200000000020000200000010000000000006000000000000000000000002000000000000000000200000000000000000000020800000000000000000000000000000000000010000000400000000020000000000000000000000000000000000000200000002000000000000000000000080000000000000000000000000000000000000000000000000000000080000000000000080000000000000000000000000080000000000000800000000000000000000000000000000400220000000000000000000000000000040000000000400020000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@h�������@h�������@(������@(�������(�������(�������h��������`�������(�������h��������(��������������h���h���h���h��� ��(�� � ���� � (���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:05Z</structure-indexed-at> </compound>