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

2-Methyl-2-propanyl N-{[sec-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 ID16503740

More details:

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

2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[sec-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-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl](1-methylpropyl)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: 725.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.540
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11407.10
ACD/KOC (pH 5.5): 27515.48
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 6023.74
ACD/KOC (pH 7.4): 14530.08
Polar Surface Area: 141 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 543.4±7.0 cm3

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