360847 <common-name>[[4-(diphosphonomethyl)piperazin-1-yl]-phosphonomethyl]phosphonic acid</common-name> <description>[[4-(diphosphonomethyl)piperazin-1-yl]-phosphonomethyl]phosphonic acid is a chemical compound with the formula C6H18N2O12P4. It has an average molecular weight of 434.11 g/mol.</description> <cas>71230-70-1</cas> <pubchem-id>117097</pubchem-id> <chemical-formula>C6H18N2O12P4</chemical-formula> <weight>434.11</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">2026-09-01T09:28:16Z</created-at> <updated-at type="dateTime">2026-09-01T09:28:16Z</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>C1CN(CCN1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O</moldb-smiles> <moldb-formula>C6H18N2O12P4</moldb-formula> <moldb-inchi>InChI=1S/C6H18N2O12P4/c9-21(10,11)5(22(12,13)14)7-1-2-8(4-3-7)6(23(15,16)17)24(18,19)20/h5-6H,1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)</moldb-inchi> <moldb-inchikey>BQOSEXYGYUOASD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">433.981022</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-11.3</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>CHEM356740</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[[4-(diphosphonomethyl)piperazin-1-yl]-phosphonomethyl]phosphonic acid</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>Organic phosphonic acids and derivatives</klass> <subklass>Bisphosphonates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0310999</sync-id> <structure-inchikey>BQOSEXYGYUOASD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000080000000000000000000000000000000000000001000000000000000000000000000000002000800000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000000000000000020100000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000008000000000000000000000000000000000001420000000000000000000000000000000000000000000000000020000000000000000000000000000000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`������� ������`������� ������(�������`�������`������� ������(�������`�������`�������`������� ������(�������`�������`������� ������(�������`�������`�������������������������������� �� ��������� ������������������������������������B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:16Z</structure-indexed-at> </compound>