(17β)-2-Fluoroestra-1(10),2,4-Triene-3,4,17-Triol

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Properties Simple | Detailed

Formula C18H23FO3
IUPAC Name (8r,9s,13s,14s,17s)-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
Molecular Mass 306.372 g·mol−1
Heat of Formation -778.0 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 360.6 Å 3
Surface Area 301.67 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
  • 2-fluoro-4-hydroxyestradiol
  • 2f4ohe2
  • estra-1,3,5(10)-triene-3,4,17-triol, 2-fluoro-, (17beta)-
CAS Number(s)
  • 148044-31-9
InChIKey RRMDJMJTCAKGBL-ZICKVNAASA-N
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