ChemSpider 2D Image | (2beta,3beta,5beta,22R,25S)-2,3,14,20,22-Pentahydroxy-26-iodocholest-7-en-6-one | C27H43IO6

(2β,3β,5β,22R,25S)-2,3,14,20,22-Pentahydroxy-26-iodocholest-7-en-6-one

  • Molecular FormulaC27H43IO6
  • Average mass590.531 Da
  • Monoisotopic mass590.210449 Da
  • ChemSpider ID9482802
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2β,3β,5β,22R,25S)-2,3,14,20,22-Pentahydroxy-26-iodcholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,25S)-2,3,14,20,22-Pentahydroxy-26-iodocholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R,25S)-2,3,14,20,22-Pentahydroxy-26-iodocholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-26-iodo-, (2β,3β,5β,22R,25S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.34
ACD/KOC (pH 5.5): 390.89
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.34
ACD/KOC (pH 7.4): 390.89
Polar Surface Area: 118 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

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