ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-17,21-Dihydroxypregn-1-ene-3,11,20-trione | C21H28O5

(5β,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregn-1-ene-3,11,20-trione

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID111313262

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregn-1-en-3,11,20-trion [German] [ACD/IUPAC Name]
(5β,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxypregn-1-ene-3,11,20-trione [ACD/IUPAC Name]
(5β,8α,9β,10α,13α,14β,17α)-17,21-Dihydroxyprégn-1-ène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregn-1-ene-3,11,20-trione, 17,21-dihydroxy-, (5β,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: 1.3±0.1 g/cm3
Boiling Point: 554.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 303.3±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.05
ACD/KOC (pH 5.5): 140.90
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 140.90
Polar Surface Area: 92 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 284.6±3.0 cm3

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