ChemSpider 2D Image | (7beta,8xi,9beta,10alpha,13alpha,14beta,17alpha)-17-Hydroxy-7-methyl-17-(~2~H_3_)methylestr-4-en-3-one | C20H27D3O2

(7β,8ξ,9β,10α,13α,14β,17α)-17-Hydroxy-7-methyl-17-(2H3)methylestr-4-en-3-one

  • Molecular FormulaC20H27D3O2
  • Average mass305.470 Da
  • Monoisotopic mass305.243408 Da
  • ChemSpider ID111312155

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7β,8ξ,9β,10α,13α,14β,17α)-17-Hydroxy-7-methyl-17-(2H3)methylestr-4-en-3-on [German] [ACD/IUPAC Name]
(7β,8ξ,9β,10α,13α,14β,17α)-17-Hydroxy-7-methyl-17-(2H3)methylestr-4-en-3-one [ACD/IUPAC Name]
(7β,8ξ,9β,10α,13α,14β,17α)-17-Hydroxy-7-méthyl-17-(2H3)méthylestr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-hydroxy-7-methyl-17-(methyl-d3)-, (7β,8ξ,9β,10α,13α,14β,17α)- [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: 440.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 187.8±21.3 °C
Index of Refraction: 1.554
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.24
ACD/KOC (pH 5.5): 1697.27
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.24
ACD/KOC (pH 7.4): 1697.27
Polar Surface Area: 37 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 273.8±5.0 cm3

Click to predict properties on the Chemicalize site


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