ChemSpider 2D Image | (8alpha,9beta,10alpha,11alpha,13alpha,14beta,17alpha)-9,11-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione | C21H26Cl2O4

(8α,9β,10α,11α,13α,14β,17α)-9,11-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H26Cl2O4
  • Average mass413.335 Da
  • Monoisotopic mass412.120819 Da
  • ChemSpider ID111313271

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,9β,10α,11α,13α,14β,17α)-9,11-Dichlor-17,21-dihydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-9,11-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-9,11-Dichloro-17,21-dihydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-17,21-dihydroxy-, (8α,9β,10α,11α,13α,14β,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: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.11
ACD/KOC (pH 5.5): 1221.24
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.11
ACD/KOC (pH 7.4): 1221.21
Polar Surface Area: 75 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 299.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement