ChemSpider 2D Image | Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](3-vinylphenyl)acetyl}-beta-alaninate | C28H43N3O6S

Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](3-vinylphenyl)acetyl}-β-alaninate

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID16519086

More details:

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

Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](3-vinylphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](3-vinylphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}méthionyl)(propyl)amino]-2-(3-vinylphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl]propylamino]-2-(3-ethenylphenyl)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: 695.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 673.82
ACD/KOC (pH 5.5): 2384.06
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 547.94
ACD/KOC (pH 7.4): 1938.69
Polar Surface Area: 146 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 490.3±7.0 cm3

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