ChemSpider 2D Image | (8alpha,10alpha,11alpha,13alpha,14beta,17alpha)-17,21-Dihydroxy-9,11-epoxypregn-4-ene-3,20-dione | C21H28O5

(8α,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-epoxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID113603399

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-epoxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-epoxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,10α,11α,13α,14β,17α)-17,21-Dihydroxy-9,11-époxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (8α,10α,11α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 198.2±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.67
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.67
Polar Surface Area: 87 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 271.1±5.0 cm3

Click to predict properties on the Chemicalize site


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