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Search term: NJTAPFKGQYWFQM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4alpha,6beta)-4,6-Dibromocholestan-3-yl acetate | C29H48Br2O2

(4α,6β)-4,6-Dibromocholestan-3-yl acetate

  • Molecular FormulaC29H48Br2O2
  • Average mass588.498 Da
  • Monoisotopic mass586.202087 Da
  • ChemSpider ID148963

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(4α,6β)-4,6-Dibromcholestan-3-yl-acetat [German] [ACD/IUPAC Name]
(4α,6β)-4,6-Dibromocholestan-3-yl acetate [ACD/IUPAC Name]
Acétate de (4α,6β)-4,6-dibromocholestan-3-yle [French] [ACD/IUPAC Name]
Cholestan-3-ol, 4,6-dibromo-, acetate, (4α,6β)- [ACD/Index Name]
514-50-1 [RN]
5α,6β-Dibromdihydrocholesterinacetat

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.0±27.3 °C
Index of Refraction: 1.538
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.35
ACD/LogD (pH 5.5): 9.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5786702.50
ACD/LogD (pH 7.4): 9.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5786702.50
Polar Surface Area: 26 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 464.2±5.0 cm3

Click to predict properties on the Chemicalize site


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