ChemSpider 2D Image | Hamamelitannin | C20H20O14

Hamamelitannin

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID21468878

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-L-ribofuranose [German] [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-L-ribofuranose [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]méthyl}-L-ribofuranose [French] [ACD/IUPAC Name]
Hamamelitannin
L-Ribofuranose, 2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 5-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
Hamamelofuranose 2'5'-digallate
Hamamelofuranose2,5-digallate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465414/
MFCD00017418

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 941.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 143.6±3.0 kJ/mol
    Flash Point: 329.0±27.8 °C
    Index of Refraction: 1.746
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 0.94
    ACD/BCF (pH 5.5): 3.05
    ACD/KOC (pH 5.5): 77.08
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 2.06
    ACD/KOC (pH 7.4): 52.24
    Polar Surface Area: 244 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 112.9±3.0 dyne/cm
    Molar Volume: 266.4±3.0 cm3

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