ChemSpider 2D Image | 6beta-Iodocholesterol | C27H45IO

6β-Iodocholesterol

  • Molecular FormulaC27H45IO
  • Average mass512.550 Da
  • Monoisotopic mass512.251526 Da
  • ChemSpider ID112410

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-6-Iodcholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β)-6-Iodocholest-5-en-3-ol [ACD/IUPAC Name]
(3β)-6-Iodocholest-5-én-3-ol [French] [ACD/IUPAC Name]
6β-Iodocholesterol
Cholest-5-en-3-ol, 6-iodo-, (3β)- [ACD/Index Name]
6-IODOCHOL ESTEROL
6-Iodocholest-5-en 3β-ol
6-iodocholesterol
74920-44-8 [RN]
Cholest-5-en-3-ol, 6-(iodo-131I)-, (3β)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.3±24.3 °C
Index of Refraction: 1.559
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.87
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2368649.25
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2368649.25
Polar Surface Area: 20 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

Click to predict properties on the Chemicalize site


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