ChemSpider 2D Image | (3beta)-3-(9H-Fluoren-9-yloxy)cholest-5-ene | C40H54O

(3β)-3-(9H-Fluoren-9-yloxy)cholest-5-ene

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID9332213

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-(9H-Fluoren-9-yloxy)cholest-5-en [German] [ACD/IUPAC Name]
(3β)-3-(9H-Fluoren-9-yloxy)cholest-5-ene [ACD/IUPAC Name]
(3β)-3-(9H-Fluorén-9-yloxy)cholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 3-(9H-fluoren-9-yloxy)-, (3β)- [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: 634.2±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 343.5±26.9 °C
Index of Refraction: 1.585
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 13.80
ACD/LogD (pH 5.5): 12.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 513.9±5.0 cm3

Click to predict properties on the Chemicalize site


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