ChemSpider 2D Image | (3beta,5beta)-5-[(6-Deoxy-alpha-D-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide | C35H52O14

(3β,5β)-5-[(6-Deoxy-α-D-mannopyranosyl)oxy]-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O14
  • Average mass696.779 Da
  • Monoisotopic mass696.335693 Da
  • ChemSpider ID29766944

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5β)-5-[(6-Deoxy-α-D-mannopyranosyl)oxy]-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-5-[(6-Desoxy-α-D-mannopyranosyl)oxy]-3-[(6-desoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-5-[(6-Désoxy-α-D-mannopyranosyl)oxy]-3-[(6-désoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 5-[(6-deoxy-α-D-mannopyranosyl)oxy]-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2R,3S,4S,5S,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: 1.5±0.1 g/cm3
    Boiling Point: 876.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 144.8±6.0 kJ/mol
    Flash Point: 272.3±27.8 °C
    Index of Refraction: 1.630
    Molar Refractivity: 169.1±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.96
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.95
    Polar Surface Area: 222 Å2
    Polarizability: 67.1±0.5 10-24cm3
    Surface Tension: 75.5±5.0 dyne/cm
    Molar Volume: 475.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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