ChemSpider 2D Image | (2S)-2-{[4'-(2-Benzylfuro[2,3-b]pyridin-3-yl)-4-biphenylyl]oxy}-3-phenylpropanoic acid | C35H27NO4

(2S)-2-{[4'-(2-Benzylfuro[2,3-b]pyridin-3-yl)-4-biphenylyl]oxy}-3-phenylpropanoic acid

  • Molecular FormulaC35H27NO4
  • Average mass525.593 Da
  • Monoisotopic mass525.194031 Da
  • ChemSpider ID8849010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[4'-(2-Benzylfuro[2,3-b]pyridin-3-yl)-4-biphenylyl]oxy}-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-{[4'-(2-Benzylfuro[2,3-b]pyridin-3-yl)-4-biphenylyl]oxy}-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[4'-(2-benzylfuro[2,3-b]pyridin-3-yl)-4-biphénylyl]oxy}-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[4'-[2-(phenylmethyl)furo[2,3-b]pyridin-3-yl][1,1'-biphenyl]-4-yl]oxy]-, (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: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.5±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 505.61
ACD/KOC (pH 5.5): 649.04
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 25.93
ACD/KOC (pH 7.4): 33.28
Polar Surface Area: 73 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 422.3±3.0 cm3

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