ChemSpider 2D Image | (3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide | C30H46O9

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

  • Molecular FormulaC30H46O9
  • Average mass550.681 Da
  • Monoisotopic mass550.314209 Da
  • ChemSpider ID17466798

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)- [ACD/Index Name]
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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: 1.3±0.1 g/cm3
    Boiling Point: 730.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 121.7±6.0 kJ/mol
    Flash Point: 234.9±26.4 °C
    Index of Refraction: 1.596
    Molar Refractivity: 141.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.36
    ACD/KOC (pH 5.5): 43.46
    ACD/LogD (pH 7.4): 0.48
    ACD/BCF (pH 7.4): 1.36
    ACD/KOC (pH 7.4): 43.46
    Polar Surface Area: 135 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 60.9±5.0 dyne/cm
    Molar Volume: 416.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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