ChemSpider 2D Image | N-Benzoyl-3-nitrotyrosine | C16H14N2O6

N-Benzoyl-3-nitrotyrosine

  • Molecular FormulaC16H14N2O6
  • Average mass330.292 Da
  • Monoisotopic mass330.085175 Da
  • ChemSpider ID64883086

More details:

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

N-Benzoyl-3-nitrotyrosin [German] [ACD/IUPAC Name]
N-Benzoyl-3-nitrotyrosine [ACD/IUPAC Name]
N-Benzoyl-3-nitrotyrosine [French] [ACD/IUPAC Name]
Tyrosine, N-benzoyl-3-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 337.0±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement