ChemSpider 2D Image | (3beta,5beta,12beta)-3-{[2,6-Dideoxy-4-O-methyl-beta-D-xylo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol ide | C42H66O14

(3β,5β,12β)-3-{[2,6-Dideoxy-4-O-methyl-β-D-xylo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol ide

  • Molecular FormulaC42H66O14
  • Average mass794.965 Da
  • Monoisotopic mass794.445251 Da
  • ChemSpider ID32696867

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5β,12β)-3-{[2,6-Dideoxy-4-O-methyl-β-D-xylo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol
 ide [ACD/IUPAC Name]
(3β,5β,12β)-3-{[2,6-Didesoxy-4-O-methyl-β-D-xylo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-e
 nolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-{[2,6-Didésoxy-4-O-méthyl-β-D-xylo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-é
 nolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-4-O-methyl-β-D-xylo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3β,5b η,12β)- [ACD/Index Name]
(3?,5?,12?)-3-{[2,6-Dideoxy-4-O-methyl-?-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-?-D-ribo- hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol
30685-43-9 [RN]
b-Methyldigoxin
MFCD00869434 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 914.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 150.9±6.0 kJ/mol
    Flash Point: 270.5±27.8 °C
    Index of Refraction: 1.589
    Molar Refractivity: 201.2±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 14.08
    ACD/KOC (pH 5.5): 231.14
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 14.08
    ACD/KOC (pH 7.4): 231.14
    Polar Surface Area: 192 Å2
    Polarizability: 79.8±0.5 10-24cm3
    Surface Tension: 60.6±5.0 dyne/cm
    Molar Volume: 597.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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