ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(4-ethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl)amino]acetyl}phenylalaninate | C42H57N3O6

2-Methyl-2-propanyl N-{(4-ethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl)amino]acetyl}phenylalaninate

  • Molecular FormulaC42H57N3O6
  • Average mass699.919 Da
  • Monoisotopic mass699.424744 Da
  • ChemSpider ID16566980

More details:

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

2-Methyl-2-propanyl N-{(4-ethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(4-ethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(4-Éthylphényl)-2-[(2-méthyl-2-butanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénylalanyl)amino]acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl](1,1-dimethylpropyl)amino]-2-(4-ethylphenyl)acetyl]-, 1,1-dimethylethyl 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: 786.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.1±35.7 °C
Index of Refraction: 1.540
Molar Refractivity: 204.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 9.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2544148.00
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1465455.75
Polar Surface Area: 121 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 651.2±7.0 cm3

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