ChemSpider 2D Image | (2E,17beta)-17-Hydroxy-2-[(3E,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]-17-methylandrost-4-en-3-one | C40H58O3

(2E,17β)-17-Hydroxy-2-[(3E,17β)-17-hydroxy-17-methylandrost-4-en-3-ylidene]-17-methylandrost-4-en-3-one

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID9257637

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2E,17β)-17-Hydroxy-2-[(3E,17β)-17-hydroxy-17-methylandrost-4-en-3-yliden]-17-methylandrost-4-en-3-on [German] [ACD/IUPAC Name]
(2E,17β)-17-Hydroxy-2-[(3E,17β)-17-hydroxy-17-methylandrost-4-en-3-ylidene]-17-methylandrost-4-en-3-one [ACD/IUPAC Name]
(2E,17β)-17-Hydroxy-2-[(3E,17β)-17-hydroxy-17-méthylandrost-4-én-3-ylidène]-17-méthylandrost-4-én-3-one [French] [ACD/IUPAC Name]
Androst-4-en-3-one, 17-hydroxy-2-[(3E,17β)-17-hydroxy-17-methylandrost-4-en-3-ylidene]-17-methyl-, (2E,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 388.7±28.0 °C
Index of Refraction: 1.598
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 9.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1973761.88
ACD/LogD (pH 7.4): 9.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1973761.88
Polar Surface Area: 58 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 506.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement