ChemSpider 2D Image | (3beta,5beta,10alpha,12beta)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide | C24H32O6

(3β,5β,10α,12β)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID113608898

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,10α,12β)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,10α,12β)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,10α,12β)-3,12,14-Trihydroxy-11-oxobufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 3,12,14-trihydroxy-11-oxo-, (3β,5β,10α,12β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 218.7±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.54
ACD/KOC (pH 5.5): 85.96
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 85.96
Polar Surface Area: 104 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

Click to predict properties on the Chemicalize site


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