ChemSpider 2D Image | (7alpha,17beta)-7-{11-[4-(~125~I)Iodophenoxy]undecyl}estra-1,3,5(10)-triene-3,17-diol | C35H49125IO3

(7α,17β)-7-{11-[4-(125I)Iodophenoxy]undecyl}estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC35H49125IO3
  • Average mass642.666 Da
  • Monoisotopic mass642.272766 Da
  • ChemSpider ID60725

  • 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

(7α,17β)-7-{11-[4-(125I)Iodophenoxy]undecyl}estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(7α,17β)-7-{11-[4-(125I)Iodophénoxy]undécyl}estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
(7α,17β)-7-{11-[4-(125I)Iodphenoxy]undecyl}estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 7-[11-[4-(iodo-125I)phenoxy]undecyl]-, (7α,17β)- [ACD/Index Name]
(125I)Ipue2
(7α,17β)-7-(11-(4-(Iodo-125I)phenoxy)undecyl)estra-1,3,5(10)-triene-3,17-diol
132054-36-5 [RN]
7-(11-(4-Iodophenoxy)undecyl)-17-estradiol
7α-(11-(4-(125I)Iodophenoxy)undecyl)-17β-estradiol
Estra-1,3,5(10)-triene-3,17-diol, 7-(11-(4-(iodo-125I)phenoxy)undecyl)-, (7α,17β)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 67.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 509.2±3.0 cm3

Click to predict properties on the Chemicalize site


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