ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}phenylalaninate | C36H51N3O7

2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}phenylalaninate

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID16531475

More details:






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

2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxy-3-méthylphényl)-2-[(2-méthylcyclopropyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}valyl)amino]acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl](2-methylcyclopropyl)amino]-2-(4-hydroxy-3-methylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 750.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.9±35.7 °C
Index of Refraction: 1.561
Molar Refractivity: 177.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20130.28
ACD/KOC (pH 5.5): 40977.46
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 12782.23
ACD/KOC (pH 7.4): 26019.67
Polar Surface Area: 141 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 547.0±7.0 cm3

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