ChemSpider 2D Image | (3beta,10alpha,17beta)-3,19-Dihydroxyandrost-5-en-17-yl benzoate | C26H34O4

(3β,10α,17β)-3,19-Dihydroxyandrost-5-en-17-yl benzoate

  • Molecular FormulaC26H34O4
  • Average mass410.546 Da
  • Monoisotopic mass410.245697 Da
  • ChemSpider ID62417579

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,10α,17β)-3,19-Dihydroxyandrost-5-en-17-yl benzoate [ACD/IUPAC Name]
(3β,10α,17β)-3,19-Dihydroxyandrost-5-en-17-yl-benzoat [German] [ACD/IUPAC Name]
(3β,8α,10α,14β,17α)-3,19-Dihydroxyandrost-5-en-17-yl benzoate [ACD/IUPAC Name]
(3β,8α,10α,14β,17α)-3,19-Dihydroxyandrost-5-en-17-yl-benzoat [German] [ACD/IUPAC Name]
Androst-5-ene-3,17,19-triol, 17-benzoate, (3β,10α,17β)- [ACD/Index Name]
Androst-5-ene-3,17,19-triol, 17-benzoate, (3β,8α,10α,14β,17α)- [ACD/Index Name]
Benzoate de (3β,10α,17β)-3,19-dihydroxyandrost-5-én-17-yle [French] [ACD/IUPAC Name]
Benzoate de (3β,8α,10α,14β,17α)-3,19-dihydroxyandrost-5-én-17-yle [French] [ACD/IUPAC 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: 563.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 187.6±22.2 °C
Index of Refraction: 1.605
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2166.04
ACD/KOC (pH 5.5): 8497.02
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2166.04
ACD/KOC (pH 7.4): 8497.02
Polar Surface Area: 67 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 336.0±5.0 cm3

Click to predict properties on the Chemicalize site


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