5-[(3Ar,6S,6As)-2-Amino-3A,4,6,6A-Tetrahydro-1H-Thieno[3,4-D]Imidazol-6-Yl]Pentanoic Acid

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Formula C10H17N3O2S
IUPAC Name 5-[(3as,4s,6ar)-2-amino-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Mass 243.326 g·mol−1
Heat of Formation -349.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 291.28 Å 3
Surface Area 270.72 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, 2-amino-3a,4,6,6a-tetrahydro-, (3as-(3aalpha,4beta,6aalpha))-
  • 2-iminobiotin
  • 5-[(3as,4s,6ar)-2-amino-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
  • 5-[(3as,4s,6ar)-2-amino-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-4-yl]valeric acid
  • guanidinobiotin
  • hexahydro-2-imino-1h-thieno[3,4-d]imidazole-4-pentanoic acid
CAS Number(s)
  • 13395-35-2
InChIKey WWVANQJRLPIHNS-ZKWXMUAHSA-N
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