ChemSpider 2D Image | (4alpha,5beta,8alpha,14beta)-4-Bromo-17-hydroxy-3,11,20-trioxopregnan-21-yl acetate | C23H31BrO6

(4α,5β,8α,14β)-4-Bromo-17-hydroxy-3,11,20-trioxopregnan-21-yl acetate

  • Molecular FormulaC23H31BrO6
  • Average mass483.393 Da
  • Monoisotopic mass482.130402 Da
  • ChemSpider ID62429929

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4α,5β,8α,14β)-4-Brom-17-hydroxy-3,11,20-trioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
(4α,5β,8α,14β)-4-Bromo-17-hydroxy-3,11,20-trioxopregnan-21-yl acetate [ACD/IUPAC Name]
(4β,5α,8α,9β,17α)-4-Brom-17-hydroxy-3,11,20-trioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
(4β,5α,8α,9β,17α)-4-Bromo-17-hydroxy-3,11,20-trioxopregnan-21-yl acetate [ACD/IUPAC Name]
Acétate de (4α,5β,8α,14β)-4-bromo-17-hydroxy-3,11,20-trioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Acétate de (4β,5α,8α,9β,17α)-4-bromo-17-hydroxy-3,11,20-trioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Pregnane-3,11,20-trione, 21-(acetyloxy)-4-bromo-17-hydroxy-, (4α,5β,8α,14β)- [ACD/Index Name]
Pregnane-3,11,20-trione, 21-(acetyloxy)-4-bromo-17-hydroxy-, (4β,5α,8α,9β,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: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.25
ACD/KOC (pH 5.5): 630.72
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.25
ACD/KOC (pH 7.4): 630.71
Polar Surface Area: 98 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 344.7±3.0 cm3

Click to predict properties on the Chemicalize site


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