Found 1 result

Search term: 122111-11-9 (Found by approved synonym)
ChemSpider 2D Image | β-D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate | C20H18F2O8S

β-D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate

  • Molecular FormulaC20H18F2O8S
  • Average mass456.414 Da
  • Monoisotopic mass456.069031 Da
  • ChemSpider ID26404146

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

122111-11-9 [RN]
134877-42-2 [RN]
134877-43-3 [RN]
3,5-Di-O-benzoyl-2-deoxy-2,2-difluoro-1-O-(methylsulfonyl)-β-D-erythro-pentofuranose [ACD/IUPAC Name]
3,5-Di-O-benzoyl-2-desoxy-2,2-difluor-1-O-(methylsulfonyl)-β-D-erythro-pentofuranose [German] [ACD/IUPAC Name]
3,5-Di-O-benzoyl-2-désoxy-2,2-difluoro-1-O-(méthylsulfonyl)-β-D-érythro-pentofuranose [French] [ACD/IUPAC Name]
β-D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate
β-D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate [ACD/Index Name]
((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methyl-sulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
((2R,3R,5S)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 588.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 309.7±30.1 °C
    Index of Refraction: 1.573
    Molar Refractivity: 102.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 247.24
    ACD/KOC (pH 5.5): 1797.23
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 247.24
    ACD/KOC (pH 7.4): 1797.23
    Polar Surface Area: 114 Å2
    Polarizability: 40.7±0.5 10-24cm3
    Surface Tension: 54.9±5.0 dyne/cm
    Molar Volume: 311.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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