ChemSpider 2D Image | pisosterol | C33H54O4

pisosterol

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID10182670
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3β,22R,23S)-3,23-Dihydroxy-24-methylenelanost-8-en-22-yl acetate [ACD/IUPAC Name]
(3β,22R,23S)-3,23-Dihydroxy-24-methylenlanost-8-en-22-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,22R,23S)-3,23-dihydroxy-24-méthylènelanost-8-én-22-yle [French] [ACD/IUPAC Name]
Lanost-8-ene-3,22,23-triol, 24-methylene-, 22-acetate, (3β,22R,23S)- [ACD/Index Name]
pisosterol
A-pisosterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 177.7±23.6 °C
Index of Refraction: 1.534
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 780223.56
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 780223.56
Polar Surface Area: 67 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 483.9±5.0 cm3

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