ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha)-6-Hydroxy-3,20-epoxykaura-5,16-diene-1,7,15-trione | C20H22O5

(8α,9β,10α,13α)-6-Hydroxy-3,20-epoxykaura-5,16-diene-1,7,15-trione

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID58134208

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(8α,9β,10α,13α)-6-Hydroxy-3,20-epoxykaura-5,16-dien-1,7,15-trion [German] [ACD/IUPAC Name]
(8α,9β,10α,13α)-6-Hydroxy-3,20-epoxykaura-5,16-diene-1,7,15-trione [ACD/IUPAC Name]
(8α,9β,10α,13α)-6-Hydroxy-3,20-époxykaura-5,16-diène-1,7,15-trione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 215.0±23.6 °C
Index of Refraction: 1.616
Molar Refractivity: 87.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.00
ACD/KOC (pH 5.5): 712.57
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 51.28
ACD/KOC (pH 7.4): 537.29
Polar Surface Area: 81 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 249.1±5.0 cm3

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