ChemSpider 2D Image | 3,4,6-Tri-O-acetyl-beta-D-glucopyranosyl chloride | C12H17ClO8

3,4,6-Tri-O-acetyl-β-D-glucopyranosyl chloride

  • Molecular FormulaC12H17ClO8
  • Average mass324.712 Da
  • Monoisotopic mass324.061188 Da
  • ChemSpider ID58171760

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,3R,4R,5R,6S)-3,4-bis(acetyloxy)-6-chloro-5-hydroxyoxan-2-yl]methyl acetate
3,4,6-Tri-O-acetyl-β-D-glucopyranosyl chloride [ACD/IUPAC Name]
3,4,6-Tri-O-acetyl-β-D-glucopyranosylchlorid [German] [ACD/IUPAC Name]
4451-37-0 [RN]
Chlorure de 3,4,6-tri-O-acétyl-β-D-glucopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosyl chloride, 3,4,6-triacetate [ACD/Index Name]
(2R,3R,4R,5R,6S)-2-(Acetoxymethyl)-6-chloro-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate
1-Chloro-1-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranose
MFCD30067159

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 417.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±6.0 kJ/mol
    Flash Point: 206.0±28.7 °C
    Index of Refraction: 1.498
    Molar Refractivity: 69.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.05
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.32
    ACD/KOC (pH 5.5): 42.36
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.32
    ACD/KOC (pH 7.4): 42.35
    Polar Surface Area: 108 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 48.8±5.0 dyne/cm
    Molar Volume: 236.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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