ChemSpider 2D Image | Ethyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}-beta-alaninate | C31H43N3O8

Ethyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}-β-alaninate

  • Molecular FormulaC31H43N3O8
  • Average mass585.688 Da
  • Monoisotopic mass585.304993 Da
  • ChemSpider ID16558776

More details:

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

Ethyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(2,3-Diméthylphényl)-2-[(2-hydroxyéthyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl](2-hydroxyethyl)amino]-2-(2,3-dimethylphenyl)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: 780.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.1±35.7 °C
Index of Refraction: 1.556
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 100.53
ACD/KOC (pH 5.5): 660.39
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 83.05
ACD/KOC (pH 7.4): 545.51
Polar Surface Area: 161 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 490.7±7.0 cm3

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