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

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

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID16556376

More details:

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

Ethyl N-{[heptyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](4-hydroxyphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[heptyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino](4-hydroxyphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[Heptyl(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]-2-(4-hydroxyphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[5-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,5-dioxopentyl]heptylamino]-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: 755.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.7±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: 5.97
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 26.44
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 21.07
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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