ChemSpider 2D Image | (11beta,13xi)-11-Hydroxypregna-1,4-diene-3,20-dione | C21H28O3

(11β,13ξ)-11-Hydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID58817208

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-11-Hydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,13ξ)-11-Hydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,13ξ)-11-Hydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11-hydroxy-, (11β,13ξ)- [ACD/Index Name]
4224-37-7 [RN]
PREGNA-1,4-DIENE-3,20-DIONE,11-HYDROXY-,(11SS)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 264.4±25.2 °C
Index of Refraction: 1.573
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.46
ACD/KOC (pH 5.5): 663.60
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.46
ACD/KOC (pH 7.4): 663.60
Polar Surface Area: 54 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement