ChemSpider 2D Image | sinubrasolide L | C28H40O3

sinubrasolide L

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID62285066

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(22R,25R)-22,26-Epoxyergosta-1,4-dien-3,26-dion [German] [ACD/IUPAC Name]
(22R,25R)-22,26-Epoxyergosta-1,4-diene-3,26-dione [ACD/IUPAC Name]
(22R,25R)-22,26-Époxyergosta-1,4-diène-3,26-dione [French] [ACD/IUPAC Name]
Ergosta-1,4-diene-3,26-dione, 22,26-epoxy-, (22R,25R)- [ACD/Index Name]
sinubrasolide L
(24S,25R)-3-oxo-witha-1,4-dienolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 241.0±21.5 °C
Index of Refraction: 1.551
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18654.72
ACD/KOC (pH 5.5): 39684.15
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18654.72
ACD/KOC (pH 7.4): 39684.15
Polar Surface Area: 43 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 385.1±5.0 cm3

Click to predict properties on the Chemicalize site


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