ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-beta-alaninate | C29H41N3O6

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-β-alaninate

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID9527961

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-β-alaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-1-(méthylamino)-3-(2-naphtyl)-1-oxo-2-propanyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-N-[(1S)-2-(methylamino)-1-(2-naphthalenylmethyl)-2-oxoethyl]-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1984.71
ACD/KOC (pH 5.5): 7981.58
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1984.54
ACD/KOC (pH 7.4): 7980.86
Polar Surface Area: 114 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 464.2±3.0 cm3

Click to predict properties on the Chemicalize site


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