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

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Properties Simple | Detailed

Formula C18H23I2N3O3S
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-3,5-diiodo-phenyl)ethyl]pentanamide
Molecular Mass 611.268 g·mol−1
Heat of Formation -346.8 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 519.98 Å 3
Surface Area 457.07 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, hexahydro-n-(2-(4-hydroxy-3,5-di(iodo-125i)phenyl)ethyl)-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • biotinyldiiodotyramine
  • hexahydro-n-(2-(4-hydroxy-3,5-di(iodo-125i)phenyl)ethyl)-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanamide (3as-(3aalpha,4beta,6aalpha))-
  • n-(4-hydroxy-3,5-diiodophenylethyl)biotin amide
  • n-hdpeba
CAS Number(s)
  • 112242-37-2
InChIKey QELCXXJUDKKEBU-DMPPVTDHSA-N
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