ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta)-17-Oxoandrost-5-en-3-yl heptanoate | C26H40O3

(3α,8α,9β,10α,13α,14β)-17-Oxoandrost-5-en-3-yl heptanoate

  • Molecular FormulaC26H40O3
  • Average mass400.594 Da
  • Monoisotopic mass400.297760 Da
  • ChemSpider ID113607210

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β)-17-Oxoandrost-5-en-3-yl heptanoate [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-17-Oxoandrost-5-en-3-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (3α,8α,9β,10α,13α,14β)-17-oxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (3α,8α,9β,10α,13α,14β)-17-oxoandrost-5-en-3-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: 497.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 211.4±28.8 °C
Index of Refraction: 1.529
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56440.36
ACD/KOC (pH 5.5): 87653.55
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56440.36
ACD/KOC (pH 7.4): 87653.55
Polar Surface Area: 43 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement