ChemSpider 2D Image | 3-Fluoro-L-aspartic acid | C4H6FNO4

3-Fluoro-L-aspartic acid

  • Molecular FormulaC4H6FNO4
  • Average mass151.093 Da
  • Monoisotopic mass151.028091 Da
  • ChemSpider ID24187920

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Fluor-L-asparaginsäure [German] [ACD/IUPAC Name]
3-Fluoro-L-aspartic acid [ACD/IUPAC Name]
Acide 3-fluoro-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, 3-fluoro- [ACD/Index Name]
(2R)-2-amino-3-fluorobutanedioic acid
(2R)-2-amino-3-fluorosuccinic acid
??-fluoroaspartic acid
67866-76-6 [RN]
95530-04-4 [RN]
Aspartic acid, 3-fluoro- (9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 284.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.6±6.0 kJ/mol
Flash Point: 125.8±27.3 °C
Index of Refraction: 1.495
Molar Refractivity: 27.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 93.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement