ChemSpider 2D Image | (3beta,9beta,25r)-3-Hydroxy-26-Iodocholest-5-Ene-16,22-Dione | C27H41IO3

(3β,9β,25r)-3-Hydroxy-26-Iodocholest-5-Ene-16,22-Dione

  • Molecular FormulaC27H41IO3
  • Average mass540.517 Da
  • Monoisotopic mass540.210022 Da
  • ChemSpider ID35033990
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,8α,10α,14β,17α,25R)-3-Hydroxy-26-iodcholest-5-en-16,22-dion [German] [ACD/IUPAC Name]
(3α,8α,10α,14β,17α,25R)-3-Hydroxy-26-iodocholest-5-ene-16,22-dione [ACD/IUPAC Name]
(3α,8α,10α,14β,17α,25R)-3-Hydroxy-26-iodocholest-5-ène-16,22-dione [French] [ACD/IUPAC Name]
(3β,9β,25r)-3-Hydroxy-26-Iodocholest-5-Ene-16,22-Dione
Cholest-5-ene-16,22-dione, 3-hydroxy-26-iodo-, (3α,8α,10α,14β,17α,25R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4626.03
ACD/KOC (pH 5.5): 14626.80
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4626.03
ACD/KOC (pH 7.4): 14626.80
Polar Surface Area: 54 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement