ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-4-Chloro-3-oxoandrost-4-en-17-yl hexanoate | C25H37ClO3

(8α,9β,10α,13α,14β,17α)-4-Chloro-3-oxoandrost-4-en-17-yl hexanoate

  • Molecular FormulaC25H37ClO3
  • Average mass421.013 Da
  • Monoisotopic mass420.243134 Da
  • ChemSpider ID111310488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17α)-4-Chlor-3-oxoandrost-4-en-17-yl-hexanoat [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-4-Chloro-3-oxoandrost-4-en-17-yl hexanoate [ACD/IUPAC Name]
Hexanoate de (8α,9β,10α,13α,14β,17α)-4-chloro-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (8α,9β,10α,13α,14β,17α)-4-chloro-3-oxoandrost-4-en-17-yl ester [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: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 156.4±29.1 °C
Index of Refraction: 1.537
Molar Refractivity: 115.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56454.30
ACD/KOC (pH 5.5): 87669.05
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56454.30
ACD/KOC (pH 7.4): 87669.05
Polar Surface Area: 43 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

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