N-{6-[(Iodoacetyl)Amino]Hexyl}-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C18H31IN4O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[6-[(2-iodoacetyl)amino]hexyl]pentanamide
Molecular Mass 510.433 g·mol−1
Heat of Formation -656.5 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 549.78 Å 3
Surface Area 409.94 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, hexahydro-n-(6-((iodoacetyl)amino)hexyl)-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[6-[(2-iodoacetyl)amino]hexyl]valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[6-(2-iodoethanoylamino)hexyl]pentanamide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[6-[(2-iodo-1-oxoethyl)amino]hexyl]pentanamide
  • iaa-biotin
  • n-iodoacetyl-n'-biotinylhexylenediamine
CAS Number(s)
  • 93285-75-7
InChIKey DNXDWMHPTVQBIP-ZQIUZPCESA-N
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