ChemSpider 2D Image | Methyl 2-bromo-N-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetyl]phenylalaninate | C22H31BrN2O6

Methyl 2-bromo-N-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetyl]phenylalaninate

  • Molecular FormulaC22H31BrN2O6
  • Average mass499.395 Da
  • Monoisotopic mass498.136536 Da
  • ChemSpider ID81148859

More details:

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

2-Bromo-N-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-(tétrahydro-2H-pyran-4-yl)acétyl]phénylalaninate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-bromo-N-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetyl]phenylalaninate [ACD/IUPAC Name]
Methyl-2-brom-N-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)(tetrahydro-2H-pyran-4-yl)acetyl]phenylalaninat [German] [ACD/IUPAC Name]
Phenylalanine, 2-bromo-N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(tetrahydro-2H-pyran-4-yl)acetyl]-, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 383.45
ACD/KOC (pH 5.5): 2460.49
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.29
ACD/KOC (pH 7.4): 2459.47
Polar Surface Area: 103 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 380.7±3.0 cm3

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