(17β)-6-Iodoestra-1,3,5(10),6-Tetraene-3,17-Diol

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Properties Simple | Detailed

Formula C18H21IO2
IUPAC Name (8r,9s,13s,14s,17s)-6-iodo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 396.263 g·mol−1
Heat of Formation -252.9 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 373.13 Å 3
Surface Area 312.76 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-6-iodo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
  • 6-iodo-1,3,5(10),6-tetraene-3,17beta-diol
  • estra-1,3,5(10),6-tetraene-3,17-diol, 6-iodo-, (17beta)-
CAS Number(s)
  • 71696-92-9
InChIKey FMNWCCVGPNFPDR-YVEZLPLXSA-N
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