ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-19-Iodocholest-5-en-3-ol | C27H45IO

(3α,8α,9β,10α,13α,14β,17α,20S)-19-Iodocholest-5-en-3-ol

  • Molecular FormulaC27H45IO
  • Average mass512.550 Da
  • Monoisotopic mass512.251526 Da
  • ChemSpider ID114553573

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,17α,20S)-19-Iodcholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α,20S)-19-Iodocholest-5-en-3-ol [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α,20S)-19-Iodocholest-5-én-3-ol [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, 19-iodo-, (3α,8α,9β,10α,13α,14β,17α,20S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.2±22.6 °C
Index of Refraction: 1.560
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 8.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1800462.00
ACD/LogD (pH 7.4): 8.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1800462.00
Polar Surface Area: 20 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

Click to predict properties on the Chemicalize site


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