ChemSpider 2D Image | 3beta-hydroxycholest-5-en-26-al | C27H44O2

3β-hydroxycholest-5-en-26-al

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID34448961

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxycholest-5-en-26-al [German] [ACD/IUPAC Name]
(3β)-3-Hydroxycholest-5-en-26-al [ACD/IUPAC Name]
(3β)-3-Hydroxycholest-5-én-26-al [French] [ACD/IUPAC Name]
3β-hydroxycholest-5-en-26-al
Cholest-5-en-26-al, 3-hydroxy-, (3β)- [ACD/Index Name]
(3β)-hydroxycholest-5-en-26-al
(3β)-hydroxy-cholest-5-en-26-al
ketocholesterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 216.9±15.2 °C
Index of Refraction: 1.532
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 172821.00
ACD/KOC (pH 5.5): 195275.59
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 172821.00
ACD/KOC (pH 7.4): 195275.59
Polar Surface Area: 37 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

Click to predict properties on the Chemicalize site


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