ChemSpider 2D Image | (5alpha,6beta,12alpha,17alpha,22S)-5-Chloro-6,12,17-trihydroxy-12,22:22,26-diepoxyergosta-2,24-diene-1,26-dione | C28H37ClO7

(5α,6β,12α,17α,22S)-5-Chloro-6,12,17-trihydroxy-12,22:22,26-diepoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID24710260

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,6β,12α,17α,22S)-5-Chlor-6,12,17-trihydroxy-12,22:22,26-diepoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(5α,6β,12α,17α,22S)-5-Chloro-6,12,17-trihydroxy-12,22:22,26-diepoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(5α,6β,12α,17α,22S)-5-Chloro-6,12,17-trihydroxy-12,22:22,26-diépoxyergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 5-chloro-12,22:22,26-diepoxy-6,12,17-trihydroxy-, (5α,6β,12α,17α,22S)- [ACD/Index 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: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.79
ACD/KOC (pH 5.5): 512.08
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.79
ACD/KOC (pH 7.4): 512.05
Polar Surface Area: 113 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 374.9±5.0 cm3

Click to predict properties on the Chemicalize site


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