121191 <common-name>3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone</common-name> <description>3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone belongs to the pyranones and derivatives, a subclass of pyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C7H8O5 and an average molecular weight of 172.14 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C7H8O5</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">2026-04-06T03:48:22Z</created-at> <updated-at type="dateTime">2026-04-06T03:48:22Z</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(=O)C(O)=C(CO)O1</moldb-smiles> <moldb-formula>C7H8O5</moldb-formula> <moldb-inchi>InChI=1S/C7H8O5/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,8-9,11H,2-3H2</moldb-inchi> <moldb-inchikey>YZUXYQQFVNGYCA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">172.136</moldb-average-mass> <moldb-mono-mass type="decimal">172.0371734</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>CHEM117084</chemdb-id> <dsstox-id>DTXSID90372682</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097809</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyrans</klass> <subklass>Pyranones and derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0062456</sync-id> <structure-inchikey>YZUXYQQFVNGYCA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000200002000000000000000000000020000000000000000000000000000000000000000000000000100000000000000000000000000000000020800000000000000000800000000004000000010000800400000000120000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000020010000000000000000000000000000080000000000000000000000000000000000000000000000000000002800000000400000000000000000000000000000000000000000000000000000000040000000000000020080000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>400000000112060000000000000820010000040010040000022420400280000c40000010008000000004410000800000042000a0008c30010900443000a0000084110400020002010090180005620100000081804000203200000420002049000c680404004082000000000840300001200280108001e0041108000000110002004000080c4000000800020008080008100c00124410140a0000080000000001004100009000c00000000800002c201002c020008041084010000200004802100000000484010012018000a004010ac0050000000000400004000200080001000010020400010000000000030100208000180010004000020000000070000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABCABgAAAAAQEGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQIACgAAAADAgZAKAAAAAMECABo AAAAAwEBBkAoAAAAAwQGAGAAAAACAggAYAAAAAEBCEAoAAAAAwILAAEAAQIA AgNoDAMEaAwEBSgCBAZoDAYHIAYIaAwICQAJCgAIC2gMCwJoDEIBAAAABgIL CAYEAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:52Z</structure-indexed-at> </compound>