ChemSpider 2D Image | (11beta,17alpha,20Z)-11-Ethyl-21-(~125~I)iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol | C22H29125IO2


  • Molecular FormulaC22H29125IO2
  • Average mass450.369 Da
  • Monoisotopic mass450.121368 Da
  • ChemSpider ID8087246
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11β,17α,20Z)-11-Ethyl-21-(125I)iod-19-norpregna-1,3,5(10),20-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(11β,17α,20Z)-11-Ethyl-21-(125I)iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol [ACD/IUPAC Name]
(11β,17α,20Z)-11-Éthyl-21-(125I)iodo-19-norprégna-1,3,5(10),20-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 11-ethyl-17-[(Z)-2-(iodo-125I)ethenyl]-, (11β,17β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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