ChemSpider 2D Image | Ethyl N-{[(5-methyl-2-hexanyl)(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](3-vinylphenyl)acetyl}-beta-alaninate | C32H50N4O7

Ethyl N-{[(5-methyl-2-hexanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](3-vinylphenyl)acetyl}-β-alaninate

  • Molecular FormulaC32H50N4O7
  • Average mass602.762 Da
  • Monoisotopic mass602.367920 Da
  • ChemSpider ID16556136

More details:

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

Ethyl N-{[(5-methyl-2-hexanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](3-vinylphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[(5-methyl-2-hexanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](3-vinylphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[(5-Méthyl-2-hexanyl)(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]-2-(3-vinylphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[5-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,5-dioxopentyl](1,4-dimethylpentyl)amino]-2-(3-ethenylphenyl)acetyl]-, ethyl 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: 739.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.3±35.7 °C
Index of Refraction: 1.533
Molar Refractivity: 165.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 31.08
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 25.27
Polar Surface Area: 165 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 533.0±7.0 cm3

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