ChemSpider 2D Image | Methyl N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}glycinate | C28H43N3O6S

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

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID16550437

More details:

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

Glycine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl](1,4-dimethylpentyl)amino]-2-(3-ethenylphenyl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}glycinate [ACD/IUPAC Name]
Methyl-N-{[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}glycinat [German] [ACD/IUPAC Name]
N-{2-[(5-Méthyl-2-hexanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]-2-(3-vinylphényl)acétyl}glycinate de méthyle [French] [ACD/IUPAC 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: 662.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5156.06
ACD/KOC (pH 5.5): 15290.95
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2171.57
ACD/KOC (pH 7.4): 6440.06
Polar Surface Area: 160 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 483.6±7.0 cm3

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