N-{2-[4-Hydroxy-3-(~125~I)Iodophenyl]Ethyl}-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C18H24IN3O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[2-(4-hydroxy-3-iodo-phenyl)ethyl]pentanamide
Molecular Mass 487.371 g·mol−1
Heat of Formation -432.0 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 475.4 Å 3
Surface Area 428.41 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, hexahydro-n-(2-(4-hydroxy-3-(iodo-125i)phenyl)ethyl)-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • biotinylmonoiodotyramine
  • n-(4-hydroxy-3-iodophenylethyl)biotin amide
  • n-(beta-(4-hydroxy-3-iodophenyl)ethyl)biotinamide
  • n-hipeba
CAS Number(s)
  • 112242-36-1
InChIKey VUSGDMJLYUSDDM-LVCSBNNFSA-N
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