ChemSpider 2D Image | (3beta,5alpha,7beta,24R)-3-Acetoxy-7-hydroxycholestan-24-yl benzoate | C36H54O5

(3β,5α,7β,24R)-3-Acetoxy-7-hydroxycholestan-24-yl benzoate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID9072327
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β,5α,7β,24R)-3-Acetoxy-7-hydroxycholestan-24-yl benzoate [ACD/IUPAC Name]
(3β,5α,7β,24R)-3-Acetoxy-7-hydroxycholestan-24-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,5α,7β,24R)-3-acétoxy-7-hydroxycholestan-24-yle [French] [ACD/IUPAC Name]
Cholestane-3,7,24-triol, 3-acetate 24-benzoate, (3β,5α,7β,24R)- [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: 625.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 185.2±18.1 °C
Index of Refraction: 1.547
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 746031.13
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 746031.13
Polar Surface Area: 73 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 512.3±5.0 cm3

Click to predict properties on the Chemicalize site






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