ChemSpider 2D Image | Ethyl N-{(2-hydroxyphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}-beta-alaninate | C26H41N3O7

Ethyl N-{(2-hydroxyphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}-β-alaninate

  • Molecular FormulaC26H41N3O7
  • Average mass507.620 Da
  • Monoisotopic mass507.294464 Da
  • ChemSpider ID16503861

More details:

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

Ethyl N-{(2-hydroxyphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(2-hydroxyphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(2-Hydroxyphényl)-2-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)(pentyl)amino]acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]pentylamino]-2-(2-hydroxyphenyl)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: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 233.07
ACD/KOC (pH 5.5): 1169.87
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 196.64
ACD/KOC (pH 7.4): 987.01
Polar Surface Area: 141 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 441.9±7.0 cm3

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