ChemSpider 2D Image | (3alpha,4alpha,5alpha,17xi)-4-Allylcholestan-3-ol | C30H52O

(3α,4α,5α,17ξ)-4-Allylcholestan-3-ol

  • Molecular FormulaC30H52O
  • Average mass428.733 Da
  • Monoisotopic mass428.401825 Da
  • ChemSpider ID26359428

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,4α,5α,17ξ)-4-Allylcholestan-3-ol [German] [ACD/IUPAC Name]
(3α,4α,5α,17ξ)-4-Allylcholestan-3-ol [ACD/IUPAC Name]
(3α,4α,5α,17ξ)-4-Allylcholestan-3-ol [French] [ACD/IUPAC Name]
Cholestan-3-ol, 4-(2-propen-1-yl)-, (3α,4α,5α,17ξ)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 502.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 223.0±13.7 °C
Index of Refraction: 1.501
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1913638.38
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1913638.38
Polar Surface Area: 20 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 455.3±3.0 cm3

Click to predict properties on the Chemicalize site


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