ChemSpider 2D Image | (20E)-11-Ethyl-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol | C22H29IO2

(20E)-11-Ethyl-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol

  • Molecular FormulaC22H29IO2
  • Average mass452.369 Da
  • Monoisotopic mass452.121216 Da
  • ChemSpider ID58820228
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(20E)-11-Ethyl-21-iod-19-norpregna-1(10),2,4,20-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(20E)-11-Ethyl-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol [ACD/IUPAC Name]
(20E)-11-Éthyl-21-iodo-19-norprégna-1(10),2,4,20-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 11-ethyl-17-[(E)-2-iodoethenyl]-, (17α)- [ACD/Index Name]
149046-54-8 [RN]
17-Iodovinyl-11-ethylestradiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14775.39
ACD/KOC (pH 5.5): 33584.71
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14755.14
ACD/KOC (pH 7.4): 33538.69
Polar Surface Area: 40 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

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