ChemSpider 2D Image | (17beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid | C22H32O4

(17β)-3-Acetoxyandrost-5-ene-17-carboxylic acid

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID74090173

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(17β)-3-Acetoxyandrost-5-en-17-carbonsäure [German] [ACD/IUPAC Name]
(17β)-3-Acetoxyandrost-5-ene-17-carboxylic acid [ACD/IUPAC Name]
Acide (17β)-3-acétoxyandrost-5-ène-17-carboxylique [French] [ACD/IUPAC Name]
Androst-5-ene-17-carboxylic acid, 3-(acetyloxy)-, (17β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 483.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 162.7±22.2 °C
Index of Refraction: 1.552
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 372.04
ACD/KOC (pH 5.5): 1431.82
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 22.98
Polar Surface Area: 64 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

Click to predict properties on the Chemicalize site


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