ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-acetyl-beta-D-xylopyranoside | C37H60O10

(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-acetyl-β-D-xylopyranoside

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID17466643

  • defined stereocentres - 15 of 16 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-acetyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-acetyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-β-D-xylopyranoside 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-Xylopyranoside, (3β,5ξ,6α,9β,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl, 2-acetate [ACD/Index Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 750.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.7 mmHg at 25°C
    Enthalpy of Vaporization: 124.8±6.0 kJ/mol
    Flash Point: 225.6±26.4 °C
    Index of Refraction: 1.587
    Molar Refractivity: 173.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 3.54
    ACD/BCF (pH 5.5): 289.06
    ACD/KOC (pH 5.5): 2009.93
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 289.06
    ACD/KOC (pH 7.4): 2009.92
    Polar Surface Area: 155 Å2
    Polarizability: 68.8±0.5 10-24cm3
    Surface Tension: 58.6±5.0 dyne/cm
    Molar Volume: 516.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement