ChemSpider 2D Image | 3-Methyl-N-({[2-methyl(1-~2~H_1_)-2-propanyl]oxy}carbonyl)-L-phenylalanine | C15H20DNO4

3-Methyl-N-({[2-methyl(1-2H1)-2-propanyl]oxy}carbonyl)-L-phenylalanine

  • Molecular FormulaC15H20DNO4
  • Average mass280.338 Da
  • Monoisotopic mass280.153320 Da
  • ChemSpider ID92171870

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-Methyl-N-({[2-methyl(1-2H1)-2-propanyl]oxy}carbonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
3-Methyl-N-({[2-methyl(1-2H1)-2-propanyl]oxy}carbonyl)-L-phenylalanine [ACD/IUPAC Name]
3-Méthyl-N-({[2-méthyl(1-2H1)-2-propanyl]oxy}carbonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[[(1,1-dimethylethyl-2-d)oxy]carbonyl]-3-methyl- [ACD/Index Name]
114873-14-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 219.9±27.3 °C
Index of Refraction: 1.527
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

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