ChemSpider 2D Image | (9xi,16alpha)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione | C21H26O6

(9ξ,16α)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID24582094

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(9ξ,16α)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9ξ,16α)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9ξ,16α)-16,17,21-Trihydroxy-9,11-époxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-16,17,21-trihydroxy-, (9ξ,16α)- [ACD/Index Name]
(9,16b)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione
215095-77-5 [RN]
9,11b-Epoxidetriamcinolone

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

Density: 1.4±0.0 g/cm3
Boiling Point: 585.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±0.0 kJ/mol
Flash Point: 208.2±0.0 °C
Index of Refraction: 1.646
Molar Refractivity: 95.2±0.0 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.40
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.40
Polar Surface Area: 107 Å2
Polarizability: 37.7±0.0 10-24cm3
Surface Tension: 68.2±0.0 dyne/cm
Molar Volume: 262.4±0.0 cm3

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