ChemSpider 2D Image | N-[(2S)-1-Hydroxy-3-phenyl-2-propanyl]-Nalpha-[(2E)-3-phenyl-2-propenoyl]-L-phenylalaninamide | C27H28N2O3

N-[(2S)-1-Hydroxy-3-phenyl-2-propanyl]-Nα-[(2E)-3-phenyl-2-propenoyl]-L-phenylalaninamide

  • Molecular FormulaC27H28N2O3
  • Average mass428.523 Da
  • Monoisotopic mass428.209991 Da
  • ChemSpider ID26328863

  • 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

Benzenepropanamide, N-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-α-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]-, (αS)- [ACD/Index Name]
N-[(2S)-1-Hydroxy-3-phenyl-2-propanyl]-Nα-[(2E)-3-phenyl-2-propenoyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-3-phenyl-2-propanyl]-Nα-[(2E)-3-phenyl-2-propenoyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-3-phényl-2-propanyl]-Nα-[(2E)-3-phényl-2-propenoyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(2s)-1-Hydroxy-3-Phenylpropan-2-Yl]-Nα-[(2e)-3-Phenylprop-2-Enoyl]-L-Phenylalaninamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.69
ACD/KOC (pH 5.5): 1927.80
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.69
ACD/KOC (pH 7.4): 1927.80
Polar Surface Area: 78 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 361.0±3.0 cm3

Click to predict properties on the Chemicalize site


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