ChemSpider 2D Image | (1R,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-dichlorobenzyl)oxy]-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid | C15H14Cl2FNO5

(1R,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-dichlorobenzyl)oxy]-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

  • Molecular FormulaC15H14Cl2FNO5
  • Average mass378.180 Da
  • Monoisotopic mass377.023315 Da
  • ChemSpider ID76782861

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-dichlorbenzyl)oxy]-4-fluorbicyclo[3.1.0]hexan-2,6-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-dichlorobenzyl)oxy]-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorobenzyl)oxy]-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-fluoro-, (1R,2R,3S,4S,5R,6R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 229.3±5.0 cm3

Click to predict properties on the Chemicalize site


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