ChemSpider 2D Image | (3beta,5beta,16beta)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolide | C26H34O6

(3β,5β,16β)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolide

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID71116306

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5β,16β)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3-hydroxy-14,15-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
470-37-1 [RN]
Cinobufagin [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 199.4±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.04
ACD/KOC (pH 5.5): 830.16
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.04
ACD/KOC (pH 7.4): 830.16
Polar Surface Area: 85 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 343.1±5.0 cm3

Click to predict properties on the Chemicalize site


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