ChemSpider 2D Image | 2-(2-Carboxyethyl)-5-chloro-4-nitro-L-phenylalanine | C12H13ClN2O6

2-(2-Carboxyethyl)-5-chloro-4-nitro-L-phenylalanine

  • Molecular FormulaC12H13ClN2O6
  • Average mass316.694 Da
  • Monoisotopic mass316.046204 Da
  • ChemSpider ID26329194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid
2-(2-Carboxyethyl)-5-chlor-4-nitro-L-phenylalanin [German] [ACD/IUPAC Name]
2-(2-Carboxyethyl)-5-chloro-4-nitro-L-phenylalanine [ACD/IUPAC Name]
2-(2-Carboxyéthyl)-5-chloro-4-nitro-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 2-(2-carboxyethyl)-5-chloro-4-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 565.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

Click to predict properties on the Chemicalize site


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