127782 <common-name>2,2-[Oxybis(methylene)]bis[2-[(acetyloxy)methyl]propane-1,2-diyl] tetraacetate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>105573</pubchem-id> <chemical-formula>C22H34O13</chemical-formula> <weight>506.5</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">2026-04-06T11:51:25Z</created-at> <updated-at type="dateTime">2026-08-30T14:54:57Z</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(=O)OCC(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)(COC(=O)C)COC(=O)C</moldb-smiles> <moldb-formula>C22H34O13</moldb-formula> <moldb-inchi>InChI=1S/C22H34O13/c1-15(23)30-9-21(10-31-16(2)24,11-32-17(3)25)7-29-8-22(12-33-18(4)26,13-34-19(5)27)14-35-20(6)28/h7-14H2,1-6H3</moldb-inchi> <moldb-inchikey>IQEXPFRBGYDLCW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">506.1999411</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.4</logp> <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>CHEM123675</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122318</susdat-id> <iupac>[3-acetyloxy-2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)propyl] acetate</iupac> <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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Hexacarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089609</sync-id> <structure-inchikey>IQEXPFRBGYDLCW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000010000000000000400000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000020008000000100000000000000000000000082010000000002000000000000000000000000000000000000000000400010000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000400000000000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������#���"���€���`�������(�������(�������(�������`������� ������`������� ������`������� ������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�����������(��� ���������������� � � ���� � (���� ������� ��(���� ������� ��(������������ ��(����������� !(� "�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:14Z</structure-indexed-at> </compound>