ChemSpider 2D Image | 5-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidine | C11H16FN3O4

5-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidine

  • Molecular FormulaC11H16FN3O4
  • Average mass273.261 Da
  • Monoisotopic mass273.112488 Da
  • ChemSpider ID114935081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Fluor-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidin [German] [ACD/IUPAC Name]
5-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidine [ACD/IUPAC Name]
5-Fluoro-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-histidine [French] [ACD/IUPAC Name]
L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-5-fluoro- [ACD/Index Name]
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(5-fluoro-3H-imidazol-4-yl)propanoic acid
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-fluoro-1H-imidazol-5-yl)propanoic acid
1030383-58-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.9±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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