ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14alpha,17alpha)-3,14-Dihydroxybufa-4,20,22-trienolide | C24H32O4

(3α,8α,9β,10α,13α,14α,17α)-3,14-Dihydroxybufa-4,20,22-trienolide

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID111314015

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14α,17α)-3,14-Dihydroxybufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14α,17α)-3,14-Dihydroxybufa-4,20,22-trienolide [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14α,17α)-3,14-Dihydroxybufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
Bufa-4,20,22-trienolide, 3,14-dihydroxy-, (3α,8α,9β,10α,13α,14α,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 196.4±23.6 °C
Index of Refraction: 1.609
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.24
ACD/KOC (pH 5.5): 1323.47
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.24
ACD/KOC (pH 7.4): 1323.47
Polar Surface Area: 67 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 309.4±5.0 cm3

Click to predict properties on the Chemicalize site


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