ChemSpider 2D Image | 6,8,14-Trihydroxy-3,5-cyclopregnan-20-yl acetate | C23H36O5

6,8,14-Trihydroxy-3,5-cyclopregnan-20-yl acetate

  • Molecular FormulaC23H36O5
  • Average mass392.529 Da
  • Monoisotopic mass392.256287 Da
  • ChemSpider ID24628089

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3,5-Cyclopregnane-6,8,14,20-tetrol, 20-acetate [ACD/Index Name]
6,8,14-Trihydroxy-3,5-cyclopregnan-20-yl acetate [ACD/IUPAC Name]
6,8,14-Trihydroxy-3,5-cyclopregnan-20-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 6,8,14-trihydroxy-3,5-cycloprégnan-20-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 163.8±19.4 °C
Index of Refraction: 1.585
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.05
ACD/KOC (pH 5.5): 844.34
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.05
ACD/KOC (pH 7.4): 844.34
Polar Surface Area: 87 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

Click to predict properties on the Chemicalize site


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