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

3-Deoxy-3-fluoro-D-glucitol

  • Molecular FormulaC6H13FO5
  • Average mass184.163 Da
  • Monoisotopic mass184.074707 Da
  • ChemSpider ID32696875

  • 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-glucitol [ACD/IUPAC Name]
3-Desoxy-3-fluor-D-glucitol [German] [ACD/IUPAC Name]
3-Désoxy-3-fluoro-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 3-deoxy-3-fluoro- [ACD/Index Name]
(2R,3R,4R,5S)-4-Fluorohexane-1,2,3,5,6-pentaol
(3R,4S,5R)-3-Fluoro-1,4,5,6-tetrahydroxy-hexan-2-one
34339-82-7 [RN]
3-Deoxy-3-fluoro-D-altritol [ACD/IUPAC Name]
3-fluoro-3-deoxy-d-sorbitol
MFCD00132957 [MDL number]

    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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