ChemSpider 2D Image | Ethyl N-{(4-hydroxyphenyl)[(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)(octyl)amino]acetyl}-beta-alaninate | C30H48N4O8

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

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID16545261

More details:

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

Ethyl N-{(4-hydroxyphenyl)[(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)(octyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(4-hydroxyphenyl)[(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}asparaginyl)(octyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxyphényl)-2-[(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)(octyl)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]octylamino]-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: 748.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±35.7 °C
Index of Refraction: 1.543
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 11.48
ACD/KOC (pH 5.5): 38.79
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 7.20
ACD/KOC (pH 7.4): 24.33
Polar Surface Area: 185 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 500.8±7.0 cm3

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