ChemSpider 2D Image | U46619 | C21H34O4

U46619

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID24719087

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-heptensäure [German] [ACD/IUPAC Name]
56985-40-1 [RN]
5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxy-1-octén-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
U46619
(5Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octenyl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid
(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
[3H]U 46619
[3H]U46619
More...

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

U 46619 [DBID]
U-46619 [DBID]
UN1231 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1932
      PGH2 (TXA2) analog that is a potent and stable thromboxane A2 (TP) receptor agonist (EC50 = 0.035 ?M). Potently stimulates TP receptor-mediated, but not other prostaglandin receptor-mediated responses in various in vitro preparations. Activates ERK-1 and ERK-2 in HEK 293 cells expressing TP? and TP? receptors. Tocris Bioscience 1932
      PGH2 (TXA2) analog that is a potent and stable thromboxane A2 (TP) receptor agonist (EC50 = 0.035 ?M). Potently stimulates TP receptor-mediated, but not other prostaglandin receptor-mediated responses in various in vitro preparations. Activates ERK-1 and ERK-2 in HEK 293 cells expressing TP? and TP? receptors. Tocris Bioscience 1932
      PGH2 (TXA2) analog that is a potent and stable thromboxane A2 (TP) receptor agonist (EC50 = 0.035 muM). Potently stimulates TP receptor-mediated, but not other prostaglandin receptor-mediated responses in various in vitro preparations. Activates ERK-1 and ERK-2 in HEK 293 cells expressing TPalpha and TPbeta receptors. Tocris Bioscience 1932
      Potent, stable thromboxane A2 (TP) receptor agonist Tocris Bioscience 1932
      Prostanoid Receptors Tocris Bioscience 1932

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 176.1±18.1 °C
Index of Refraction: 1.548
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 161.70
ACD/KOC (pH 5.5): 778.93
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 12.45
Polar Surface Area: 67 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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