ChemSpider 2D Image | Methyl N-[(3S)-3-(benzoylamino)-2,2-dimethyl-3-phenylpropanoyl]-L-phenylalaninate | C28H30N2O4

Methyl N-[(3S)-3-(benzoylamino)-2,2-dimethyl-3-phenylpropanoyl]-L-phenylalaninate

  • Molecular FormulaC28H30N2O4
  • Average mass458.549 Da
  • Monoisotopic mass458.220551 Da
  • ChemSpider ID30658975

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[(3S)-3-(benzoylamino)-2,2-dimethyl-1-oxo-3-phenylpropyl]-, methyl ester [ACD/Index Name]
Methyl N-[(3S)-3-(benzoylamino)-2,2-dimethyl-3-phenylpropanoyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(3S)-3-(benzoylamino)-2,2-dimethyl-3-phenylpropanoyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(3S)-3-(Benzoylamino)-2,2-diméthyl-3-phénylpropanoyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC 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: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1829.13
ACD/KOC (pH 5.5): 7528.55
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1829.13
ACD/KOC (pH 7.4): 7528.54
Polar Surface Area: 85 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site


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