ChemSpider 2D Image | (5beta)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolide | C26H36O6

(5β)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolide

  • Molecular FormulaC26H36O6
  • Average mass444.560 Da
  • Monoisotopic mass444.251190 Da
  • ChemSpider ID95532614

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5β)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(5β)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolide [ACD/IUPAC Name]
(5β)-16-Acétoxy-3,14-dihydroxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (5β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 195.8±23.6 °C
Index of Refraction: 1.587
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.42
ACD/KOC (pH 5.5): 584.08
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.42
ACD/KOC (pH 7.4): 584.08
Polar Surface Area: 93 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 352.6±5.0 cm3

Click to predict properties on the Chemicalize site


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