ChemSpider 2D Image | (1S,2R,6S)-2-Amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid | C8H8FNO5

(1S,2R,6S)-2-Amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

  • Molecular FormulaC8H8FNO5
  • Average mass217.151 Da
  • Monoisotopic mass217.038651 Da
  • ChemSpider ID110565124

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,6S)-2-Amino-6-fluor-4-oxobicyclo[3.1.0]hexan-2,6-dicarbonsäure [German] [ACD/IUPAC Name]
(1S,2R,6S)-2-Amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-amino-6-fluoro-4-oxo-, (1S,2R,6S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 438.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 218.9±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 42.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 121.1±5.0 cm3

Click to predict properties on the Chemicalize site


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