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Search term: WOYYRNVJEJJKGA-VWLOTQADSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-3-{4-[2-(2-Cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-phenoxypropanoic acid | C27H31NO5

(2S)-3-{4-[2-(2-Cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-phenoxypropanoic acid

  • Molecular FormulaC27H31NO5
  • Average mass449.539 Da
  • Monoisotopic mass449.220215 Da
  • ChemSpider ID31119143

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{4-[2-(2-Cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-phenoxypropanoic acid [ACD/IUPAC Name]
(2S)-3-{4-[2-(2-Cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-phenoxypropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-{4-[2-(2-cyclohexyl-5-méthyl-1,3-oxazol-4-yl)éthoxy]phényl}-2-phénoxypropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[2-(2-cyclohexyl-5-methyl-4-oxazolyl)ethoxy]-α-phenoxy-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 21.33
ACD/KOC (pH 5.5): 67.21
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 3.44
Polar Surface Area: 82 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

Click to predict properties on the Chemicalize site


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