ChemSpider 2D Image | Methyl 2,4,6-tri-O-benzoyl-alpha-D-talopyranoside | C28H26O9

Methyl 2,4,6-tri-O-benzoyl-α-D-talopyranoside

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID17461428

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,4,6-Tri-O-benzoyl-α-D-talopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,4,6-tri-O-benzoyl-α-D-talopyranoside [ACD/IUPAC Name]
Methyl-2,4,6-tri-O-benzoyl-α-D-talopyranosid [German] [ACD/IUPAC Name]
α-D-Talopyranoside, methyl, 2,4,6-tribenzoate [ACD/Index Name]
(2R,3R,4S,5S,6S)-2-((benzoyloxy)methyl)-4-hydroxy-6-methoxytetrahydro-2H-pyran-3,5-diyl dibenzoate
[(2R,3R,4S,5S,6S)-5-BENZOYLOXY-2-(BENZOYLOXYMETHYL)-4-HYDROXY-6-METHOXYOXAN-3-YL] BENZOATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 678.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.6±3.0 kJ/mol
    Flash Point: 225.0±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: 6.73
    ACD/LogD (pH 5.5): 5.39
    ACD/BCF (pH 5.5): 7325.60
    ACD/KOC (pH 5.5): 20325.69
    ACD/LogD (pH 7.4): 5.39
    ACD/BCF (pH 7.4): 7325.48
    ACD/KOC (pH 7.4): 20325.36
    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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