ChemSpider 2D Image | (2E)-2-({N-[(Benzyloxy)carbonyl]phenylalanyl}amino)-3-phenylacrylic acid | C26H24N2O5

(2E)-2-({N-[(Benzyloxy)carbonyl]phenylalanyl}amino)-3-phenylacrylic acid

  • Molecular FormulaC26H24N2O5
  • Average mass444.479 Da
  • Monoisotopic mass444.168518 Da
  • ChemSpider ID64883366
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-({N-[(Benzyloxy)carbonyl]phenylalanyl}amino)-3-phenylacrylic acid [ACD/IUPAC Name]
(2E)-2-({N-[(Benzyloxy)carbonyl]phenylalanyl}amino)-3-phenylacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-[[1-oxo-3-phenyl-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-3-phenyl-, (2E)- [ACD/Index Name]
Acide (2E)-2-({N-[(benzyloxy)carbonyl]phénylalanyl}amino)-3-phénylacrylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 29.96
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 105 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

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