ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(dihydroxyboryl)-2-fluoro-L-phenylalaninate | C13H19BFNO4

2-Methyl-2-propanyl 4-(dihydroxyboryl)-2-fluoro-L-phenylalaninate

  • Molecular FormulaC13H19BFNO4
  • Average mass283.104 Da
  • Monoisotopic mass283.139130 Da
  • ChemSpider ID114861249

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-2-propanyl 4-(dihydroxyboryl)-2-fluoro-L-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(dihydroxyboryl)-2-fluor-L-phenylalaninat [German] [ACD/IUPAC Name]
4-(Dihydroxyboryl)-2-fluoro-L-phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-borono-2-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.8±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.64
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 4.85
ACD/KOC (pH 7.4): 85.20
Polar Surface Area: 93 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 234.2±5.0 cm3

Click to predict properties on the Chemicalize site


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