A-Dehydrobiotin

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Properties Simple | Detailed

Formula C10H14N2O3S
IUPAC Name (e)-5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent-2-enoic acid
Molecular Mass 242.295 g·mol−1
Heat of Formation -496.8 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 279.84 Å 3
Surface Area 258.5 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pent-2-enoic acid
  • (e)-5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pent-2-enoic acid
  • 2-pentenoic acid, 5-(2,3,3aalpha,4alpha,6,6aalpha-hexahydro-2-oxo-1h-thieno(3,4-d)imidazol-4-yl)-, (+)- (8ci)
  • 2-pentenoic acid, 5-(hexahydro-2-oxo-1h-thieno(3,4-d)imidazol-4-yl)-, (3as(3aalpha,4beta,6aalpha))-
  • alpha-dehydrobiotin
  • biotin, alpha-dehydro-
  • d04827
  • dehydrobiotin, alpha
  • lydimycin
  • lydimycin (usan)
  • u-15,965
CAS Number(s)
  • 10118-85-1
  • 11048-12-7
InChIKey NZERRTYPTPRCIR-ARSLAPBQSA-N
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