ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(3,5-dimethylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}phenylalaninate | C36H53N3O6

2-Methyl-2-propanyl N-{(3,5-dimethylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}phenylalaninate

  • Molecular FormulaC36H53N3O6
  • Average mass623.823 Da
  • Monoisotopic mass623.393433 Da
  • ChemSpider ID16504010

More details:

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

2-Methyl-2-propanyl N-{(3,5-dimethylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(3,5-dimethylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(3,5-Diméthylphényl)-2-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]pentylamino]-2-(3,5-dimethylphenyl)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: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.531
Molar Refractivity: 178.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.26
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 627315.25
ACD/KOC (pH 5.5): 483385.13
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 374692.63
ACD/KOC (pH 7.4): 288723.81
Polar Surface Area: 121 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 578.3±7.0 cm3

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