ChemSpider 2D Image | sinubrasolide I | C28H36O5

sinubrasolide I

  • Molecular FormulaC28H36O5
  • Average mass452.582 Da
  • Monoisotopic mass452.256287 Da
  • ChemSpider ID62285064

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(16β,23R,25R)-16,23:23,26-Diepoxyergosta-1,4-dien-3,22,26-trion [German] [ACD/IUPAC Name]
(16β,23R,25R)-16,23:23,26-Diepoxyergosta-1,4-diene-3,22,26-trione [ACD/IUPAC Name]
(16β,23R,25R)-16,23:23,26-Diépoxyergosta-1,4-diène-3,22,26-trione [French] [ACD/IUPAC Name]
Ergosta-1,4-diene-3,22,26-trione, 16,23:23,26-diepoxy-, (16β,23R,25R)- [ACD/Index Name]
sinubrasolide I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 264.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.80
ACD/KOC (pH 5.5): 3461.70
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 617.80
ACD/KOC (pH 7.4): 3461.70
Polar Surface Area: 70 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 369.5±5.0 cm3

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