ChemSpider 2D Image | (3beta,5beta)-3,5,14-Trihydroxy-19-(4-morpholinylimino)card-20(22)-enolide | C27H40N2O6

(3β,5β)-3,5,14-Trihydroxy-19-(4-morpholinylimino)card-20(22)-enolide

  • Molecular FormulaC27H40N2O6
  • Average mass488.616 Da
  • Monoisotopic mass488.288635 Da
  • ChemSpider ID29772976

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3,5,14-Trihydroxy-19-(4-morpholinylimino)card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3,5,14-Trihydroxy-19-(4-morpholinylimino)card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3,5,14-Trihydroxy-19-(4-morpholinylimino)card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14-trihydroxy-19-(4-morpholinylimino)-, (3β,5β)- [ACD/Index Name]
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-10-(morpholin-4-yliminomethyl)-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: 1.5±0.1 g/cm3
    Boiling Point: 699.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.0 mmHg at 25°C
    Enthalpy of Vaporization: 117.1±6.0 kJ/mol
    Flash Point: 377.1±34.3 °C
    Index of Refraction: 1.685
    Molar Refractivity: 126.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.51
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 2.05
    ACD/KOC (pH 5.5): 57.54
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.11
    ACD/KOC (pH 7.4): 59.46
    Polar Surface Area: 112 Å2
    Polarizability: 50.3±0.5 10-24cm3
    Surface Tension: 61.5±7.0 dyne/cm
    Molar Volume: 333.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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