5-[(3As,4R,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoic Acid

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Formula C10H16N2O3S
IUPAC Name 5-[(3as,4r,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Mass 244.311 g·mol−1
Heat of Formation -608.8 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 286.75 Å 3
Surface Area 268.18 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as,6ar)-
  • 5-[(3ar,6r,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeric acid
  • 5-[(3ar,6r,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid
  • btq
  • epi-biotin
  • rel-5-[(3ar,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
InChIKey YBJHBAHKTGYVGT-OOZYFLPDSA-N
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