ChemSpider 2D Image | 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one | C27H35NO2

22α,23α-epoxy-solanida-1,4,9-trien-3-one

  • Molecular FormulaC27H35NO2
  • Average mass405.572 Da
  • Monoisotopic mass405.266785 Da
  • ChemSpider ID28289268
  • defined stereocentres - 10 of 10 defined stereocentres


More details:



Featured data source



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

(23α)-22,23-Epoxysolanida-1,4,9(11)-trien-3-on [German] [ACD/IUPAC Name]
(23α)-22,23-Epoxysolanida-1,4,9(11)-trien-3-one [ACD/IUPAC Name]
(23α)-22,23-Époxysolanida-1,4,9(11)-trién-3-one [French] [ACD/IUPAC Name]
22α,23α-epoxy-solanida-1,4,9-trien-3-one
Solanida-1,4,9(11)-trien-3-one, 22,23-epoxy-, (23α)- [ACD/Index Name]
22a,23a-epoxysolanida-1,4,9-trien-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.0±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.54
Polar Surface Area: 33 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 333.8±5.0 cm3

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