ChemSpider 2D Image | (8alpha,10alpha,11alpha,13alpha,17alpha)-17,21-Dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione | C21H26O5

(8α,10α,11α,13α,17α)-17,21-Dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID62605699

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,10α,11α,13α,17α)-17,21-Dihydroxy-9,11-epoxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,11α,13α,17α)-17,21-Dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,10α,11α,13α,17α)-17,21-Dihydroxy-9,11-époxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
(9β,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-epoxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9β,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-époxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (8α,10α,11α,13α,17α)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,10α,11α,13α,14β,17α)- [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: 564.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 201.0±23.6 °C
Index of Refraction: 1.627
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.07
ACD/KOC (pH 5.5): 155.14
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.07
ACD/KOC (pH 7.4): 155.14
Polar Surface Area: 87 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 264.4±5.0 cm3

Click to predict properties on the Chemicalize site


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