ChemSpider 2D Image | (4S)-4-Fluoro-L-alpha-glutamine | C5H9FN2O3

(4S)-4-Fluoro-L-α-glutamine

  • Molecular FormulaC5H9FN2O3
  • Average mass164.135 Da
  • Monoisotopic mass164.059723 Da
  • ChemSpider ID21469486

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Fluor-L-α-glutamin [German] [ACD/IUPAC Name]
(4S)-4-Fluoro-L-α-glutamine [ACD/IUPAC Name]
(4S)-4-Fluoro-L-α-glutamine [French] [ACD/IUPAC Name]
(2S,4S)-4-amino-4-carbamoyl-2-fluorobutanoic acid
261623-81-8 [RN]
DL-threo-4-Fluoroisoglutamine
MFCD00153171 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 403.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 197.9±28.7 °C
Index of Refraction: 1.495
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 116.4±3.0 cm3

Click to predict properties on the Chemicalize site


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