ChemSpider 2D Image | (17alpha)-17-Hydroxy(20,21-~2~H_2_)-19-norpregna-4,20-dien-3-one | C20H26D2O2

(17α)-17-Hydroxy(20,21-2H2)-19-norpregna-4,20-dien-3-one

  • Molecular FormulaC20H26D2O2
  • Average mass302.447 Da
  • Monoisotopic mass302.221497 Da
  • ChemSpider ID58784271

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17α)-17-Hydroxy(20,21-2H2)-19-norpregna-4,20-dien-3-on [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy(20,21-2H2)-19-norpregna-4,20-dien-3-one [ACD/IUPAC Name]
(17α)-17-Hydroxy(20,21-2H2)-19-norprégna-4,20-dién-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-[(E)-ethenyl-1,2-d2]-17-hydroxy-, (17β)- [ACD/Index Name]

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: 1.566
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.30
ACD/KOC (pH 5.5): 1478.91
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.30
ACD/KOC (pH 7.4): 1478.91
Polar Surface Area: 37 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


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