ChemSpider 2D Image | (10xi,13xi)-17-Hydroxypregna-4,20-dien-3-one | C21H30O2

(10ξ,13ξ)-17-Hydroxypregna-4,20-dien-3-one

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID58816557

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(10ξ,13ξ)-17-Hydroxypregna-4,20-dien-3-on [German] [ACD/IUPAC Name]
(10ξ,13ξ)-17-Hydroxypregna-4,20-dien-3-one [ACD/IUPAC Name]
(10ξ,13ξ)-17-Hydroxyprégna-4,20-dién-3-one [French] [ACD/IUPAC Name]
Pregna-4,20-dien-3-one, 17-hydroxy-, (10ξ,13ξ)- [ACD/Index Name]
1235-98-9 [RN]
PREGNA-4,20-DIEN-3-ONE,17-HYDROXY-, (17A)-(9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 189.2±21.3 °C
Index of Refraction: 1.561
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.69
ACD/KOC (pH 5.5): 2359.72
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.69
ACD/KOC (pH 7.4): 2359.72
Polar Surface Area: 37 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

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