ChemSpider 2D Image | (3beta)-19-Iodo-3-methoxycholest-5-ene | C28H47IO

(3β)-19-Iodo-3-methoxycholest-5-ene

  • Molecular FormulaC28H47IO
  • Average mass526.577 Da
  • Monoisotopic mass526.267151 Da
  • ChemSpider ID4957571
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β)-19-Iod-3-methoxycholest-5-en [German] [ACD/IUPAC Name]
(3β)-19-Iodo-3-methoxycholest-5-ene [ACD/IUPAC Name]
(3β)-19-Iodo-3-méthoxycholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 19-iodo-3-methoxy-, (3β)- [ACD/Index Name]
19-IODOCHOL ESTEROL 3-METHYL ETHER
19-Iodocholesterol 3-methyl ether
66277-11-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 271.7±25.4 °C
Index of Refraction: 1.544
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 9.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3393003.75
ACD/LogD (pH 7.4): 9.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3393003.75
Polar Surface Area: 9 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 436.0±5.0 cm3

Click to predict properties on the Chemicalize site






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