ChemSpider 2D Image | (2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-Carboxylic Acid | C9H14F2O8

(2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-Carboxylic Acid

  • Molecular FormulaC9H14F2O8
  • Average mass288.199 Da
  • Monoisotopic mass288.065674 Da
  • ChemSpider ID26327062

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4R,5R,6S)-2,3-Difluor-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-Carboxylic Acid
(2R,3R,4R,5R,6S)-2,3-Difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide (2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
K99

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

Density: 1.8±0.1 g/cm3
Boiling Point: 662.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 354.7±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 161.7±5.0 cm3

Click to predict properties on the Chemicalize site


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