ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-21-Hydroxypregna-1,4-diene-3,20-dione | C21H28O3

(8α,9β,10α,13α,14β,17α)-21-Hydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID30656897

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17α)-21-Hydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-21-Hydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-21-Hydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-hydroxy-, (8α,9β,10α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 264.7±25.2 °C
Index of Refraction: 1.575
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.50
ACD/KOC (pH 5.5): 1342.58
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.50
ACD/KOC (pH 7.4): 1342.58
Polar Surface Area: 54 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 279.6±5.0 cm3

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