ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C41H68O14

(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID17466779

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9β,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- [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: 916.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 151.3±6.0 kJ/mol
    Flash Point: 508.0±34.3 °C
    Index of Refraction: 1.622
    Molar Refractivity: 197.8±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 23.27
    ACD/KOC (pH 5.5): 330.90
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.27
    ACD/KOC (pH 7.4): 330.90
    Polar Surface Area: 228 Å2
    Polarizability: 78.4±0.5 10-24cm3
    Surface Tension: 71.5±5.0 dyne/cm
    Molar Volume: 561.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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