ChemSpider 2D Image | Methyl 2,3,6-tri-O-benzoyl-beta-D-glucopyranoside | C28H26O9

Methyl 2,3,6-tri-O-benzoyl-β-D-glucopyranoside

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID22886633

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,6-Tri-O-benzoyl-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,6-tri-O-benzoyl-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2,3,6-tri-O-benzoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl, 2,3,6-tribenzoate [ACD/Index Name]
(2R,3R,4S,5R,6R)-6-((benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate
[(2R,3R,4S,5R,6R)-4-BENZOYLOXY-6-(BENZOYLOXYMETHYL)-5-HYDROXY-2-METHOXYOXAN-3-YL] BENZOATE
52049-72-6 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 666.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 220.3±25.0 °C
    Index of Refraction: 1.616
    Molar Refractivity: 130.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.90
    ACD/LogD (pH 5.5): 5.49
    ACD/BCF (pH 5.5): 8674.71
    ACD/KOC (pH 5.5): 22939.99
    ACD/LogD (pH 7.4): 5.49
    ACD/BCF (pH 7.4): 8674.61
    ACD/KOC (pH 7.4): 22939.74
    Polar Surface Area: 118 Å2
    Polarizability: 51.9±0.5 10-24cm3
    Surface Tension: 61.0±5.0 dyne/cm
    Molar Volume: 374.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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