ChemSpider 2D Image | Ethyl N-{(4-hydroxyphenyl)[(2-methyl-2-butanyl)(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}-beta-alaninate | C27H42N4O8

Ethyl N-{(4-hydroxyphenyl)[(2-methyl-2-butanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}-β-alaninate

  • Molecular FormulaC27H42N4O8
  • Average mass550.644 Da
  • Monoisotopic mass550.300293 Da
  • ChemSpider ID16544121

More details:

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

Ethyl N-{(4-hydroxyphenyl)[(2-methyl-2-butanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(4-hydroxyphenyl)[(2-methyl-2-butanyl)(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxyphényl)-2-[(2-méthyl-2-butanyl)(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxobutyl](1,1-dimethylpropyl)amino]-2-(4-hydroxyphenyl)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: 716.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.3±35.7 °C
Index of Refraction: 1.544
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 185 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 456.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement