ChemSpider 2D Image | (3beta,16E,17beta)-16-(4-Methoxybenzylidene)androst-5-ene-3,17-diol | C27H36O3

(3β,16E,17β)-16-(4-Methoxybenzylidene)androst-5-ene-3,17-diol

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID59755465
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β,16E,17β)-16-(4-Methoxybenzyliden)androst-5-en-3,17-diol [German] [ACD/IUPAC Name]
(3β,16E,17β)-16-(4-Methoxybenzylidene)androst-5-ene-3,17-diol [ACD/IUPAC Name]
(3β,16E,17β)-16-(4-Méthoxybenzylidène)androst-5-ène-3,17-diol [French] [ACD/IUPAC Name]
Androst-5-ene-3,17-diol, 16-[(4-methoxyphenyl)methylene]-, (3β,16E,17β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7596.65
ACD/KOC (pH 5.5): 20861.25
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7596.65
ACD/KOC (pH 7.4): 20861.25
Polar Surface Area: 50 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 348.1±5.0 cm3

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