(17β)-2-Iodoestra-1(10),2,4-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C18H23IO2
IUPAC Name (8r,9s,13s,14s,17s)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 398.278 g·mol−1
Heat of Formation -335.1 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 380.23 Å 3
Surface Area 317.86 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 2-iodoestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 2-iodo-, (17beta)-
CAS Number(s)
  • 24381-12-2
InChIKey JZYOQPBSKIOCIK-XSSYPUMDSA-N
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