ChemSpider 2D Image | 1-O-(4-Hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucopyranose | C15H20O10

1-O-(4-Hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC15H20O10
  • Average mass360.313 Da
  • Monoisotopic mass360.105652 Da
  • ChemSpider ID22943373

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(4-Hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-(4-Hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(4-Hydroxy-3,5-diméthoxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-(4-hydroxy-3,5-dimethoxybenzoate) [ACD/Index Name]
[112667-09-1] [RN]
112667-09-1 [RN]
Erigeside C
MFCD20274759

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 618.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.4±3.0 kJ/mol
    Flash Point: 227.6±25.0 °C
    Index of Refraction: 1.624
    Molar Refractivity: 81.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.90
    ACD/LogD (pH 7.4): -0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.91
    Polar Surface Area: 155 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 82.3±5.0 dyne/cm
    Molar Volume: 229.3±5.0 cm3

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