(3β)-19-(~125~I)Iodocholest-5-En-3-Ol

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Formula C27H45IO
IUPAC Name (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-((125i)iodanylmethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 510.550 g·mol−1
Heat of Formation -451.0 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 577.78 Å 3
Surface Area 451.52 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 19-iodocholesterol
  • cholest-5-en-3-ol, 19-(iodo-125i)-, (3beta)-
  • iodocholesterol i-125
CAS Number(s)
  • 30461-91-7
InChIKey FIOAEFCJGZJUPW-HEDRMPLKSA-N
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