ChemSpider 2D Image | Methyl (3beta,10xi,13xi,17beta)-3-hydroxyandrost-5-ene-17-carboxylate | C21H32O3

Methyl (3β,10ξ,13ξ,17β)-3-hydroxyandrost-5-ene-17-carboxylate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID58816280

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,10ξ,13ξ,17β)-3-Hydroxyandrost-5-ène-17-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androst-5-ene-17-carboxylic acid, 3-hydroxy-, methyl ester, (3β,10ξ,13ξ,17β)- [ACD/Index Name]
Methyl (3β,10ξ,13ξ,17β)-3-hydroxyandrost-5-ene-17-carboxylate [ACD/IUPAC Name]
Methyl-(3β,10ξ,13ξ,17β)-3-hydroxyandrost-5-en-17-carboxylat [German] [ACD/IUPAC Name]
METHYL 3[β]-HYDROXYANDROST-5-ENE-17[β]CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 438.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±6.0 kJ/mol
Flash Point: 171.1±21.5 °C
Index of Refraction: 1.548
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1455.17
ACD/KOC (pH 5.5): 6391.65
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1455.17
ACD/KOC (pH 7.4): 6391.65
Polar Surface Area: 47 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 296.1±5.0 cm3

Click to predict properties on the Chemicalize site


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