ChemSpider 2D Image | (11beta,16alpha,17beta)-16-(~125~I)Iodo-11-methoxyestra-1,3,5(10)-triene-3,17-diol | C19H25125IO3


  • Molecular FormulaC19H25125IO3
  • Average mass426.305 Da
  • Monoisotopic mass426.084991 Da
  • ChemSpider ID60712
  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11β,16α,17β)-16-(125I)Iod-11-methoxyestra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(11β,16α,17β)-16-(125I)Iodo-11-methoxyestra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(11β,16α,17β)-16-(125I)Iodo-11-méthoxyestra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125I)-11-methoxy-, (11β,16α,17β)- [ACD/Index Name]
104820-74-8 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125I)-11-methoxy-, (11β,16α,17β)-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 98.4±0.4 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: 39.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

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