<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">221064</id>
  <title nil="true"/>
  <common-name>4,8-ditert-butyl-6-[(2r,4r)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine</common-name>
  <description>4,8-ditert-butyl-6-[(2r,4r)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is a benzenoid with the formula C49H66O10P2. With an average molecular weight of 877.00 g/mol, 4,8-ditert-butyl-6-[(2r,4r)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is a heavy molecule.</description>
  <cas>149646-83-3</cas>
  <pubchem-id>11029302</pubchem-id>
  <chemical-formula>C49H66O10P2</chemical-formula>
  <weight>877</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">2026-08-22T15:09:33Z</created-at>
  <updated-at type="dateTime">2026-08-22T15:09:33Z</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 nil="true"/>
  <moldb-formula>C49H66O10P2</moldb-formula>
  <moldb-inchi>InChI=1S/C49H66O10P2/c1-28(54-60-56-42-34(20-30(50-15)24-38(42)46(3,4)5)35-21-31(51-16)25-39(43(35)57-60)47(6,7)8)19-29(2)55-61-58-44-36(22-32(52-17)26-40(44)48(9,10)11)37-23-33(53-18)27-41(45(37)59-61)49(12,13)14/h20-29H,19H2,1-18H3/t28-,29-/m1/s1</moldb-inchi>
  <moldb-inchikey>XMUZNZWRMNWOHX-FQLXRVMXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">877.0</moldb-average-mass>
  <moldb-mono-mass type="decimal">876.4131223</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.4</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>CHEM216957</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>4,8-ditert-butyl-6-[(2R,4R)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine</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>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass>Anisoles</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0135693</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
