ChemSpider 2D Image | (5alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-17,21-Dihydroxypregnane-3,11,20-trione | C21H30O5

(5α,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregnane-3,11,20-trione

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID78076724

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregnan-3,11,20-trion [German] [ACD/IUPAC Name]
(5α,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregnane-3,11,20-trione [ACD/IUPAC Name]
(5α,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxyprégnane-3,11,20-trione [French] [ACD/IUPAC Name]
Pregnane-3,11,20-trione, 17,21-dihydroxy-, (5α,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: 543.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.8±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 139.48
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 139.48
Polar Surface Area: 92 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 291.3±3.0 cm3

Click to predict properties on the Chemicalize site


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