ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](4-hydroxyphenyl)acetyl}phenylalaninate | C39H51N3O8

2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](4-hydroxyphenyl)acetyl}phenylalaninate

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID16560650

More details:

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

2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](4-hydroxyphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](4-hydroxyphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[sec-Butyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]-2-(4-hydroxyphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl](1-methylpropyl)amino]-2-(4-hydroxyphenyl)acetyl]-, 1,1-dimethylethyl 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: 826.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.5±37.1 °C
Index of Refraction: 1.560
Molar Refractivity: 192.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24101.91
ACD/KOC (pH 5.5): 46774.75
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 13298.54
ACD/KOC (pH 7.4): 25808.58
Polar Surface Area: 161 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 593.9±7.0 cm3

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