ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-16,25-Dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl beta-L-glucopyranoside | C41H68O14

(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl β-L-glucopyranoside

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID17466755

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (3β,5ξ,6α,9β,16β,20R,24S)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3β,5ξ,6α,9β,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl [ACD/Index Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 895.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 147.8±6.0 kJ/mol
    Flash Point: 495.5±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 197.8±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 5.74
    ACD/KOC (pH 5.5): 121.57
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.74
    ACD/KOC (pH 7.4): 121.57
    Polar Surface Area: 228 Å2
    Polarizability: 78.4±0.5 10-24cm3
    Surface Tension: 71.0±5.0 dyne/cm
    Molar Volume: 562.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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