ChemSpider 2D Image | UVI3003 | C28H36O4

UVI3003

  • Molecular FormulaC28H36O4
  • Average mass436.583 Da
  • Monoisotopic mass436.261353 Da
  • ChemSpider ID23338683
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-{4-Hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydro-2-naphthalenyl]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{4-Hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydro-2-naphthalinyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{4-Hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl}acrylic acid
2-Propenoic acid, 3-[4-hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-hydroxy-3-[5,5,8,8-tétraméthyl-3-(pentyloxy)-5,6,7,8-tétrahydro-2-naphtalényl]phényl}acrylique [French] [ACD/IUPAC Name]
UVI3003
(2E)-3-{4-hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl}prop-2-enoic acid
(E)-3-[3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-3-(pentyloxy)naphthalen-2-yl]-4-hydroxyphenyl]acrylic acid
(E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-pentoxy-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid
[847239-17-2]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 3303
      Retinoid X Receptor Tocris Bioscience 3303
      RXR antagonist Tocris Bioscience 3303
      RXR antagonist; displays high RXR binding affinity. Does not affect the corepressor interaction capacity of the RAR? subunit within the context of the RAR-RXR heterodimer. Tocris Bioscience 3303
      RXR antagonist; displays high RXR binding affinity. Does not affect the corepressor interaction capacity of the RARalpha subunit within the context of the RAR-RXR heterodimer. Tocris Bioscience 3303

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 563.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 180.6±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 25098.86
ACD/KOC (pH 5.5): 21496.08
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 412.01
ACD/KOC (pH 7.4): 352.87
Polar Surface Area: 67 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

Click to predict properties on the Chemicalize site






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