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

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

  • Molecular FormulaC35H50N4O8
  • Average mass654.794 Da
  • Monoisotopic mass654.362854 Da
  • ChemSpider ID16543070

More details:

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

2-Methyl-2-propanyl N-{(2-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(2-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(2-Hydroxy-3-méthylphényl)-2-[(2-méthyl-2-propanyl)(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]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](1,1-dimethylethyl)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: 775.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.9±35.7 °C
Index of Refraction: 1.551
Molar Refractivity: 178.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 10.88
ACD/KOC (pH 5.5): 37.62
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 185 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 558.7±7.0 cm3

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