(11β,16Alpha,17β)-16-(~125~I)Iodo-11-Methoxyestra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C19H25IO3
IUPAC Name (8s,9s,11s,13s,14s,16r,17r)-16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 426.305 g·mol−1
Heat of Formation -493.6 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 418.68 Å 3
Surface Area 336.27 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • 16-iodo-11-methoxyestradiol
  • 16alpha-iodo-11beta-methoxy-17beta-estradiol
  • estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125i)-11-methoxy-, (11beta,16alpha,17beta)-
  • imoe
CAS Number(s)
  • 104820-74-8
InChIKey ZKXIUQUNJAKYCW-LMDPIGAJSA-N
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