ChemSpider 2D Image | (3beta,5beta,17alpha)-3-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide | C29H44O9

(3β,5β,17α)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O9
  • Average mass536.654 Da
  • Monoisotopic mass536.298523 Da
  • ChemSpider ID17474184

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β,17α)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,17α)-3-[(2,6-Didesoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,17α)-3-[(2,6-Didésoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β,17α)- [ACD/Index Name]
3-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 743.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.6 mmHg at 25°C
    Enthalpy of Vaporization: 123.8±6.0 kJ/mol
    Flash Point: 242.4±26.4 °C
    Index of Refraction: 1.616
    Molar Refractivity: 136.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.75
    ACD/LogD (pH 5.5): 0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.80
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 26.80
    Polar Surface Area: 146 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 391.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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