ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,17xi)-Cholest-5-en-3-yl phenylacetate | C35H52O2

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-5-en-3-yl phenylacetate

  • Molecular FormulaC35H52O2
  • Average mass504.786 Da
  • Monoisotopic mass504.396729 Da
  • ChemSpider ID17346449

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-5-en-3-yl phenylacetate [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-5-en-3-yl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-cholest-5-en-3-yl ester [ACD/Index Name]
Phénylacétate de (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
3β-Hydroxy-5-cholestene 3-phenyl acetate
3β-Hydroxy-5-cholestene 3-phenylacetate
5-Cholesten-3β-ol 3-phenyl acetate
5-Cholesten-3β-ol 3-phenylacetate
Cholesteryl phenylacetate

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

C2800_SIGMA [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 575.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 300.4±11.8 °C
Index of Refraction: 1.545
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.49
ACD/LogD (pH 5.5): 11.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.01
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: 41.2±5.0 dyne/cm
Molar Volume: 487.6±5.0 cm3

Click to predict properties on the Chemicalize site


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