<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">279615</id>
  <title nil="true"/>
  <common-name>[[2-[bis(phosphonomethyl)amino]cyclohexyl]-(phosphonomethyl)amino]methylphosphonic acid</common-name>
  <description>[[2-[bis(phosphonomethyl)amino]cyclohexyl]-(phosphonomethyl)amino]methylphosphonic acid belongs to the organic phosphonic acids, a subclass of organic phosphonic acids and derivatives within the organic compounds. This organic acid has the chemical formula C10H26N2O12P4 and an average molecular weight of 490.21 g/mol.</description>
  <cas>28698-30-8</cas>
  <pubchem-id>14048368</pubchem-id>
  <chemical-formula>C10H26N2O12P4</chemical-formula>
  <weight>490.21</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">2026-08-26T19:32:34Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:32:34Z</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>C1CCC(C(C1)N(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O</moldb-smiles>
  <moldb-formula>C10H26N2O12P4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H26N2O12P4/c13-25(14,15)5-11(6-26(16,17)18)9-3-1-2-4-10(9)12(7-27(19,20)21)8-28(22,23)24/h9-10H,1-8H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)</moldb-inchi>
  <moldb-inchikey>ULGNICUDPHHGGF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">490.0436223</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-9.8</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>CHEM275508</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>[[2-[bis(phosphonomethyl)amino]cyclohexyl]-(phosphonomethyl)amino]methylphosphonic 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>Organic phosphonic acids</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0060145</sync-id>
  <structure-inchikey>ULGNICUDPHHGGF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000800000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000800000000000000000000020008000000000000000000000000000000000010000000000000000004020000000020000000000000000000000100800000000000000000000000000000000000000000000000000000000000000000000000006020000000800000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000001000000020000000000000000000000002000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>50000000813282008100034481a8a0000000140b81052010003400408220084c44020050118040000000430800c0000006600225008c32010004643900a04000c6110400128007004090104012720a000804c58051211e3640044462400002018c204127004c020040000800d5941000308080523101c0061118000002110002104010080ef0820808060250482c0088191c085244401c0250000b2040400080024310900090c00000000860016e25100ac00000894148401010029008400612ac1010a404800232118006805451028108010010032878000d0011000a05020090004814188000000144000110122080005004308042042e1200100052000002</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHAAAAIABBgBgAAAAAgIGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAwEGAGAAAAADAQYAYAAAAAICBwAgAAAAAwYAYAAA
AAICDwAgAAAABQgAKAAAAAMCCABgAAAAAQEIAGAAAAABAQYAYAAAAAICDwAg
AAAABQgAKAAAAAMCCABgAAAAAQEIAGAAAAABAQcAIAAAAAMGAGAAAAACAg8A
IAAAAAUIACgAAAADAggAYAAAAAEBCABgAAAAAQEGAGAAAAACAg8AIAAAAAUI
ACgAAAADAggAYAAAAAEBCABgAAAAAQELAAEAAQIAAgMAAwQABAUABAYABgcA
BwgACAkIAggKAAgLAAYMAAwNAA0OCAINDwANEAADEQAREgASEwATFAgCExUA
ExYAERcAFxgAGBkIAhgaABgbAAUAAEIBAAAABgAFBAMCARcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:54:53Z</structure-indexed-at>
</compound>
