ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,10alpha,13alpha)-3,14-Dihydroxybufa-20,22-dienolide | C24H34O4

(3α,5α,8α,9β,10α,13α)-3,14-Dihydroxybufa-20,22-dienolide

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID113588473
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3α,5α,8α,9β,10α,13α)-3,14-Dihydroxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α)-3,14-Dihydroxybufa-20,22-dienolide [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α)-3,14-Dihydroxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 3,14-dihydroxy-, (3α,5α,8α,9β,10α,13α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 189.0±23.6 °C
Index of Refraction: 1.594
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.00
ACD/KOC (pH 5.5): 966.92
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.00
ACD/KOC (pH 7.4): 966.92
Polar Surface Area: 67 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 315.1±3.0 cm3

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