ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate | C38H55N3O6S

2-Methyl-2-propanyl N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC38H55N3O6S
  • Average mass681.925 Da
  • Monoisotopic mass681.381165 Da
  • ChemSpider ID16550435

More details:

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

2-Methyl-2-propanyl N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[(5-Méthyl-2-hexanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]-2-(3-vinylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl](1,4-dimethylpentyl)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: 758.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.7±35.7 °C
Index of Refraction: 1.544
Molar Refractivity: 195.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 11.41
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1112700.13
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 863824.81
ACD/KOC (pH 7.4): 477467.81
Polar Surface Area: 160 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 618.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement