ChemSpider 2D Image | Bufadienolide | C24H34O2

Bufadienolide

  • Molecular FormulaC24H34O2
  • Average mass354.526 Da
  • Monoisotopic mass354.255890 Da
  • ChemSpider ID26286947
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(5β)-Bufa-20,22-dienolid [German] [ACD/IUPAC Name]
(5β)-Bufa-20,22-dienolide [ACD/IUPAC Name]
(5β)-Bufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, (5β)- [ACD/Index Name]
Bufadienolide [Wiki]
(5β)-bufadienolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 485.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 205.7±17.5 °C
Index of Refraction: 1.549
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19393.61
ACD/KOC (pH 5.5): 40803.04
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19393.61
ACD/KOC (pH 7.4): 40803.04
Polar Surface Area: 26 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

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