ChemSpider 2D Image | 3-Deoxy-3-fluoro-D-allitol | C6H13FO5

3-Deoxy-3-fluoro-D-allitol

  • Molecular FormulaC6H13FO5
  • Average mass184.163 Da
  • Monoisotopic mass184.074707 Da
  • ChemSpider ID57487987

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Deoxy-3-fluoro-D-allitol [ACD/IUPAC Name]
3-Desoxy-3-fluor-D-allitol [German] [ACD/IUPAC Name]
3-Désoxy-3-fluoro-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 3-deoxy-3-fluoro- [ACD/Index Name]
3-FLUORO-3-DEOXY-D-GLUCITOL

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

Density: 1.5±0.1 g/cm3
Boiling Point: 501.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 257.1±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

Click to predict properties on the Chemicalize site


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