ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}phenylalaninate | C38H55N3O6S

2-Methyl-2-propanyl N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC38H55N3O6S
  • Average mass681.925 Da
  • Monoisotopic mass681.381165 Da
  • ChemSpider ID16521365

More details:

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

2-Methyl-2-propanyl N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[(2-Méthyl-2-butanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}méthionyl)amino]-2-(3-vinylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl](1,1-dimethylpropyl)amino]-2-(3-ethenylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 772.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.9±35.7 °C
Index of Refraction: 1.536
Molar Refractivity: 196.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1058529.63
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 960567.13
ACD/KOC (pH 7.4): 542341.63
Polar Surface Area: 146 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 629.2±7.0 cm3

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