ChemSpider 2D Image | Ethyl N-{[heptyl(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}-beta-alaninate | C30H48N4O8

Ethyl N-{[heptyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}-β-alaninate

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID16545066

More details:

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

Ethyl N-{[heptyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[heptyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino](2-hydroxy-3-methylphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[Heptyl(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]-2-(2-hydroxy-3-méthylphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxobutyl]heptylamino]-2-(2-hydroxy-3-methylphenyl)acetyl]-, ethyl 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: 742.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.9±35.7 °C
Index of Refraction: 1.543
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 36.19
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 22.78
Polar Surface Area: 185 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 499.9±7.0 cm3

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