ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate | C34H49N3O7

2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID16503455

More details:

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

2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[Butyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)amino]-2-(2-hydroxy-3-méthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[butyl[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-2-(2-hydroxy-3-methylphenyl)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: 728.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.5±35.7 °C
Index of Refraction: 1.540
Molar Refractivity: 170.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12727.68
ACD/KOC (pH 5.5): 29769.08
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 6825.83
ACD/KOC (pH 7.4): 15965.10
Polar Surface Area: 141 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 544.3±7.0 cm3

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