ChemSpider 2D Image | (2r,3r,4r,5r,6r)-5-(Acetylamino)-2,3-Difluoro-4-Hydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]tetrahydro-2h-Pyran-2-Carboxylic Acid | C11H17F2NO8

(2r,3r,4r,5r,6r)-5-(Acetylamino)-2,3-Difluoro-4-Hydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]tetrahydro-2h-Pyran-2-Carboxylic Acid

  • Molecular FormulaC11H17F2NO8
  • Average mass329.251 Da
  • Monoisotopic mass329.092224 Da
  • ChemSpider ID59051621

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2r,3r,4r,5r,6r)-5-(Acetylamino)-2,3-Difluoro-4-Hydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]tetrahydro-2h-Pyran-2-Carboxylic Acid
(2R,3R,4R,5R,6R)-5-Acetamido-2,3-difluor-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-5-Acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,3R,4R,5R,6R)-5-acétamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
SFJ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -5.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

Click to predict properties on the Chemicalize site


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