ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[sec-butyl(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate | C35H50N4O8

2-Methyl-2-propanyl N-{[sec-butyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC35H50N4O8
  • Average mass654.794 Da
  • Monoisotopic mass654.362854 Da
  • ChemSpider ID16543640

More details:

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

2-Methyl-2-propanyl N-{[sec-butyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[sec-butyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[sec-Butyl(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]-2-(2-hydroxy-3-méthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxobutyl](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: 1.2±0.1 g/cm3
Boiling Point: 779.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.2±35.7 °C
Index of Refraction: 1.556
Molar Refractivity: 178.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 31.98
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 13.23
Polar Surface Area: 185 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 554.2±7.0 cm3

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