ChemSpider 2D Image | FORSYTHIN | C27H34O11

FORSYTHIN

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID24534047

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
FORSYTHIN
β-D-Glucopyranoside de 4-[(1S,3aR,4R,6aR)-4-(3,4-diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(4-((1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl)-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
[487-41-2] [RN]
1134304-91-8 [RN]
4-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl β-D-glucopyranosi
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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: 736.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.8±3.0 kJ/mol
    Flash Point: 399.4±32.9 °C
    Index of Refraction: 1.596
    Molar Refractivity: 133.6±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 0.60
    ACD/LogD (pH 5.5): 0.71
    ACD/BCF (pH 5.5): 2.03
    ACD/KOC (pH 5.5): 57.78
    ACD/LogD (pH 7.4): 0.71
    ACD/BCF (pH 7.4): 2.03
    ACD/KOC (pH 7.4): 57.78
    Polar Surface Area: 146 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 392.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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