ChemSpider 2D Image | Koaburaside | C14H20O9

Koaburaside

  • Molecular FormulaC14H20O9
  • Average mass332.303 Da
  • Monoisotopic mass332.110718 Da
  • ChemSpider ID23326619

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

41653-73-0 [RN]
4-Hydroxy-3,5-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-3,5-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Koaburaside [Wiki]
β-D-Glucopyranoside de 4-hydroxy-3,5-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxy-3,5-dimethoxyphenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
[41653-73-0] [RN]
3,5-dimethoxy-4-hydroxy phenyl-1-O-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL513117/
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 599.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.8±3.0 kJ/mol
    Flash Point: 316.1±30.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 77.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -1.60
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.15
    ACD/LogD (pH 7.4): -1.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.15
    Polar Surface Area: 138 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 222.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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