ChemSpider 2D Image | Desglucocheirotoxin | C29H42O10

Desglucocheirotoxin

  • Molecular FormulaC29H42O10
  • Average mass550.638 Da
  • Monoisotopic mass550.277771 Da
  • ChemSpider ID17466799

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(6-Desoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(6-Désoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
5822-57-1 [RN]
Card-20(22)-enolide, 3-((6-deoxy-β-D-gulopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3β,5β)-
Card-20(22)-enolide, 3-[(6-deoxy-β-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Desglucocheirotoxin
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 757.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.8 mmHg at 25°C
    Enthalpy of Vaporization: 125.9±6.0 kJ/mol
    Flash Point: 247.1±26.4 °C
    Index of Refraction: 1.622
    Molar Refractivity: 137.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): -0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.42
    ACD/LogD (pH 7.4): -0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.42
    Polar Surface Area: 163 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 70.3±5.0 dyne/cm
    Molar Volume: 388.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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