ChemSpider 2D Image | 3beta-Benzoyloxy-6alpha-chloro-5alpha-cholest-7-ene | C34H49ClO2

3β-Benzoyloxy-6α-chloro-5α-cholest-7-ene

  • Molecular FormulaC34H49ClO2
  • Average mass525.205 Da
  • Monoisotopic mass524.342102 Da
  • ChemSpider ID2340045

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,6α)-6-Chlorcholest-7-en-3-yl-benzoat [German] [ACD/IUPAC Name]
(3β,5α,6α)-6-Chlorocholest-7-en-3-yl benzoate [ACD/IUPAC Name]
113274-91-2 [RN]
3β-Benzoyloxy-6α-chloro-5α-cholest-7-ene
Benzoate de (3β,5α,6α)-6-chlorocholest-7-én-3-yle [French] [ACD/IUPAC Name]
Cholest-7-en-3-ol, 6-chloro-, benzoate, (3β,5α,6α)- [ACD/Index Name]
3-benzoyloxy-6-chlorocholest-7-ene
3-Bocce
6-Chlorocholest-7-en-3-ol benzoate, (3β,5α,6α)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 306.0±25.6 °C
Index of Refraction: 1.552
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.47
ACD/LogD (pH 5.5): 10.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 483.4±5.0 cm3

Click to predict properties on the Chemicalize site


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