95076 <common-name>N-(diphosphonomethyl)glycine</common-name> <description>N-(diphosphonomethyl)glycine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C3H9NO8P2 and an average molecular weight of 249.05 g/mol.</description> <cas>55339-21-4</cas> <pubchem-id>3016956</pubchem-id> <chemical-formula>C3H9NO8P2</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">2026-04-05T03:09:51Z</created-at> <updated-at type="dateTime">2026-04-05T03:09:51Z</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>OC(=O)CNC(P(O)(O)=O)P(O)(O)=O</moldb-smiles> <moldb-formula>C3H9NO8P2</moldb-formula> <moldb-inchi>InChI=1/C3H9NO8P2/c5-2(6)1-4-3(13(7,8)9)14(10,11)12/h3-4H,1H2,(H,5,6)(H2,7,8,9)(H2,10,11,12)</moldb-inchi> <moldb-inchikey>PUOUFDPPEXJKCL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.052</moldb-average-mass> <moldb-mono-mass type="decimal">248.9803395</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>CHEM090969</chemdb-id> <dsstox-id>DTXSID60203898</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056980</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0062257</sync-id> <structure-inchikey>PUOUFDPPEXJKCL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000080000000000000000000000000000000001000000000000006000000000000000000000002000000000000000000000000000000000000000020000002000000000000000000000000020000010000000000000000000000000000000000000000000000000000000000000000000000000000000000800080000000000000000000000000080000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000400000000000000000000000000400000000000000000000000020000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���h��������(�������(�������`�������`�������`������� ������`�������`�������(������� ������`�������`�������(�������� ��(�������������������� ��� � �� �� ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:12Z</structure-indexed-at> </compound>