ChemSpider 2D Image | (3beta,5beta,9xi,15beta)-3-Hydroxy-14,15-epoxybufa-20,22-dienolide | C24H32O4

(3β,5β,9ξ,15β)-3-Hydroxy-14,15-epoxybufa-20,22-dienolide

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID29774057

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,5β,9ξ,15β)-3-Hydroxy-14,15-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,9ξ,15β)-3-Hydroxy-14,15-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,9ξ,15β)-3-Hydroxy-14,15-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 14,15-epoxy-3-hydroxy-, (3β,5β,9ξ,15β)- [ACD/Index Name]
Resibufogenin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 190.7±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.04
ACD/KOC (pH 5.5): 1184.22
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.04
ACD/KOC (pH 7.4): 1184.22
Polar Surface Area: 59 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement