ChemSpider 2D Image | 4-{[(1R,4E)-4-Cycloocten-1-ylcarbonyl]amino}-L-phenylalanine | C18H24N2O3

4-{[(1R,4E)-4-Cycloocten-1-ylcarbonyl]amino}-L-phenylalanine

  • Molecular FormulaC18H24N2O3
  • Average mass316.395 Da
  • Monoisotopic mass316.178680 Da
  • ChemSpider ID35034873

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(1R,4E)-4-Cycloocten-1-ylcarbonyl]amino}-L-phenylalanin [German] [ACD/IUPAC Name]
4-{[(1R,4E)-4-Cycloocten-1-ylcarbonyl]amino}-L-phenylalanine [ACD/IUPAC Name]
4-{[(1R,4E)-4-Cyclooctén-1-ylcarbonyl]amino}-L-phénylalanine [French] [ACD/IUPAC Name]
4-{[(1r,4e)-Cyclooct-4-En-1-Ylcarbonyl]amino}-L-Phenylalanine
L-Phenylalanine, 4-[[(1R,4E)-4-cycloocten-1-ylcarbonyl]amino]- [ACD/Index Name]
2LQ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 92 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

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