ChemSpider 2D Image | (3alpha,8alpha,10alpha,13alpha,14beta,16alpha,17alpha)-3,17-Dihydroxy-16-methylpregn-5-en-20-one | C22H34O3

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

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID62668240

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-methylpregn-5-en-20-on [German] [ACD/IUPAC Name]
(3α,8α,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-methylpregn-5-en-20-one [ACD/IUPAC Name]
(3α,8α,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-méthylprégn-5-én-20-one [French] [ACD/IUPAC Name]
(3β,8α,9β,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-methylpregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,8α,9β,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-methylpregn-5-en-20-one [ACD/IUPAC Name]
(3β,8α,9β,10α,13α,14β,16α,17α)-3,17-Dihydroxy-16-méthylprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,17-dihydroxy-16-methyl-, (3α,8α,10α,13α,14β,16α,17α)- [ACD/Index Name]
Pregn-5-en-20-one, 3,17-dihydroxy-16-methyl-, (3β,8α,9β,10α,13α,14β,16α,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: 483.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 260.6±25.2 °C
Index of Refraction: 1.562
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 383.87
ACD/KOC (pH 5.5): 2462.41
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.87
ACD/KOC (pH 7.4): 2462.41
Polar Surface Area: 58 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 304.0±5.0 cm3

Click to predict properties on the Chemicalize site


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