ChemSpider 2D Image | Dimethyl 3-fluoro-D-aspartate | C6H10FNO4

Dimethyl 3-fluoro-D-aspartate

  • Molecular FormulaC6H10FNO4
  • Average mass179.146 Da
  • Monoisotopic mass179.059387 Da
  • ChemSpider ID28475812

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Fluoro-D-aspartate de diméthyle [French] [ACD/IUPAC Name]
D-Aspartic acid, 3-fluoro-, dimethyl ester [ACD/Index Name]
Dimethyl 3-fluoro-D-aspartate [ACD/IUPAC Name]
Dimethyl-3-fluor-D-aspartat [German] [ACD/IUPAC Name]
1,4-dimethyl (2S)-2-amino-3-fluorobutanedioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 246.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 103.0±27.3 °C
Index of Refraction: 1.426
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.51
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.84
Polar Surface Area: 79 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 144.4±3.0 cm3

Click to predict properties on the Chemicalize site


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