ChemSpider 2D Image | MFCD00888473 | C24H42O7P2

MFCD00888473

  • Molecular FormulaC24H42O7P2
  • Average mass504.534 Da
  • Monoisotopic mass504.240570 Da
  • ChemSpider ID393705

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{2-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-1,1-éthènediyl}bis(phosphonate) de tétraéthyle [French] [ACD/IUPAC Name]
126411-39-0 [RN]
MFCD00888473
Phosphonic acid, P,P'-[2-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-, tetraethyl ester [ACD/Index Name]
Tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate)
Tetraethyl {2-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,1-ethenediyl}bis(phosphonate) [ACD/IUPAC Name]
Tetraethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethenyl-1,1-bisphosphonate
Tetraethyl-{2-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,1-ethendiyl}bis(phosphonat) [German] [ACD/IUPAC Name]
[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-phosphonic acid tetraethyl ester
[126411-39-0] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SR 12813 [DBID]
SR-12813 [DBID]
C15628 [DBID]
GW 485801 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 2969
      Pregnane X Receptor Tocris Bioscience 2969
      Pregnane X receptor (PXR) agonist (EC50 values are 200 and 700 nM for human and rabbit PXR respectively). Activates the farnesoid X receptor (FXR) at ?M concentrations. Displays hypocholesterolaemic a ctivity via enchanced degradation of HMG-CoA reductase. Tocris Bioscience 2969
      Pregnane X receptor (PXR) agonist (EC50 values are 200 and 700 nM for human and rabbit PXR respectively). Activates the farnesoid X receptor (FXR) at ?M concentrations. Displays hypocholesterolaemic activity via enchanced degradation of HMG-CoA reductase. Tocris Bioscience 2969
      Pregnane X receptor (PXR) agonist (EC50 values are 200 and 700 nM for human and rabbit PXR respectively). Activates the farnesoid X receptor (FXR) at muM concentrations. Displays hypocholesterolaemic activity via enchanced degradation of HMG-CoA reductase. Tocris Bioscience 2969
      Pregnane X receptor agonist Tocris Bioscience 2969

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44059.99
ACD/KOC (pH 5.5): 73415.05
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43936.66
ACD/KOC (pH 7.4): 73209.55
Polar Surface Area: 111 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

Click to predict properties on the Chemicalize site


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