ChemSpider 2D Image | Methyl 2,3,6-tri-O-benzoyl-alpha-D-galactopyranoside | C28H26O9

Methyl 2,3,6-tri-O-benzoyl-α-D-galactopyranoside

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID9104503

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate
2,3,6-Tri-O-benzoyl-α-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
3601-36-3 [RN]
Methyl 2,3,6-tri-O-benzoyl-α-D-galactopyranoside [ACD/IUPAC Name]
Methyl-2,3,6-tri-O-benzoyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside, methyl, 2,3,6-tribenzoate [ACD/Index Name]
[(2R,3S,4S,5R,6S)-4,5-bis(benzoyloxy)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
[(2R,3S,4S,5R,6S)-5-Benzoyloxy-2-(benzoyloxymethyl)-3-hydroxy-6-methoxy-tetrahydropyra n-4-yl]benzoate
[3601-36-3] [RN]
Methyl 2,3,4-tri-O-benzoyl-?-D-galactopyranoside
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    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): 8674.72
    ACD/KOC (pH 5.5): 22939.99
    ACD/LogD (pH 7.4): 5.49
    ACD/BCF (pH 7.4): 8674.62
    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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