ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,16beta,17alpha)-16,17,21-Trihydroxypregna-1,4-diene-3,11,20-trione | C21H26O6

(8α,9β,10α,13α,14β,16β,17α)-16,17,21-Trihydroxypregna-1,4-diene-3,11,20-trione

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID111313264

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,16β,17α)-16,17,21-Trihydroxypregna-1,4-dien-3,11,20-trion [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,16β,17α)-16,17,21-Trihydroxypregna-1,4-diene-3,11,20-trione [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,16β,17α)-16,17,21-Trihydroxyprégna-1,4-diène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,11,20-trione, 16,17,21-trihydroxy-, (8α,9β,10α,13α,14β,16β,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: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 327.5±26.6 °C
Index of Refraction: 1.622
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 85.02
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 85.02
Polar Surface Area: 112 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 271.6±5.0 cm3

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