ChemSpider 2D Image | (3S)-3-Fluoro-D-asparagine | C4H7FN2O3

(3S)-3-Fluoro-D-asparagine

  • Molecular FormulaC4H7FN2O3
  • Average mass150.108 Da
  • Monoisotopic mass150.044067 Da
  • ChemSpider ID29779012

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-Fluor-D-asparagin [German] [ACD/IUPAC Name]
(3S)-3-Fluoro-D-asparagine [ACD/IUPAC Name]
(3S)-3-Fluoro-D-asparagine [French] [ACD/IUPAC Name]
D-Asparagine, 3-fluoro-, (3S)- [ACD/Index Name]
(2S,3S)-2,4-diamino-3-fluoro-4-oxobutanoic acid
72016-54-7 [RN]
81370-25-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 236.5±28.7 °C
Index of Refraction: 1.499
Molar Refractivity: 29.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 99.9±3.0 cm3

Click to predict properties on the Chemicalize site


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