ChemSpider 2D Image | N-Acetyl-2-fluoro-D-phenylalanyl-2-methoxy-5-nitro-D-phenylalanine | C21H22FN3O7

N-Acetyl-2-fluoro-D-phenylalanyl-2-methoxy-5-nitro-D-phenylalanine

  • Molecular FormulaC21H22FN3O7
  • Average mass447.414 Da
  • Monoisotopic mass447.144165 Da
  • ChemSpider ID24968552

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Phenylalanine, N-acetyl-2-fluoro-D-phenylalanyl-2-methoxy-5-nitro- [ACD/Index Name]
N-Acetyl-2-fluor-D-phenylalanyl-2-methoxy-5-nitro-D-phenylalanin [German] [ACD/IUPAC Name]
N-Acetyl-2-fluoro-D-phenylalanyl-2-methoxy-5-nitro-D-phenylalanine [ACD/IUPAC Name]
N-Acétyl-2-fluoro-D-phénylalanyl-2-méthoxy-5-nitro-D-phénylalanine [French] [ACD/IUPAC 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: 790.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 329.3±3.0 cm3

Click to predict properties on the Chemicalize site


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