ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,16beta,17alpha)-3-Hydroxy-16-methylpregn-5-en-20-one | C22H34O2

(3α,8α,9β,10α,13α,14β,16β,17α)-3-Hydroxy-16-methylpregn-5-en-20-one

  • Molecular FormulaC22H34O2
  • Average mass330.504 Da
  • Monoisotopic mass330.255890 Da
  • ChemSpider ID78360380

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,16β,17α)-3-Hydroxy-16-methylpregn-5-en-20-on [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,16β,17α)-3-Hydroxy-16-methylpregn-5-en-20-one [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,16β,17α)-3-Hydroxy-16-méthylprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-hydroxy-16-methyl-, (3α,8α,9β,10α,13α,14β,16β,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: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 191.8±21.3 °C
Index of Refraction: 1.545
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2183.97
ACD/KOC (pH 5.5): 8547.31
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2183.97
ACD/KOC (pH 7.4): 8547.31
Polar Surface Area: 37 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 306.8±5.0 cm3

Click to predict properties on the Chemicalize site


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