ChemSpider 2D Image | (6beta,7alpha,14beta,17alpha,22S,23R)-6,7,23-Trihydroxy-14,22:22,25-diepoxyergosta-4,8,11-trien-3-one | C28H38O6

(6β,7α,14β,17α,22S,23R)-6,7,23-Trihydroxy-14,22:22,25-diepoxyergosta-4,8,11-trien-3-one

  • Molecular FormulaC28H38O6
  • Average mass470.598 Da
  • Monoisotopic mass470.266846 Da
  • ChemSpider ID78438041

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(6β,7α,14β,17α,22S,23R)-6,7,23-Trihydroxy-14,22:22,25-diepoxyergosta-4,8,11-trien-3-on [German] [ACD/IUPAC Name]
(6β,7α,14β,17α,22S,23R)-6,7,23-Trihydroxy-14,22:22,25-diepoxyergosta-4,8,11-trien-3-one [ACD/IUPAC Name]
(6β,7α,14β,17α,22S,23R)-6,7,23-Trihydroxy-14,22:22,25-diépoxyergosta-4,8,11-trién-3-one [French] [ACD/IUPAC Name]
Ergosta-4,8,11-trien-3-one, 14,22:22,25-diepoxy-6,7,23-trihydroxy-, (6β,7α,14β,17α,22S,23R)- [ACD/Index Name]
Blazeispirol V1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 225.3±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.65
ACD/KOC (pH 5.5): 1088.12
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.65
ACD/KOC (pH 7.4): 1088.11
Polar Surface Area: 96 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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