Methyl 5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoate

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Formula C11H18N2O3S
IUPAC Name methyl 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Molecular Mass 258.337 g·mol−1
Heat of Formation -582.3 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 307.55 Å 3
Surface Area 284.25 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, (3aalpha,4beta,6aalpha)-(+-)-
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeric acid methyl ester
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester
  • biotin methyl ester
CAS Number(s)
  • 60562-11-0
  • 608-16-2
InChIKey BHEWJAXNLVWPSC-NRPADANISA-N
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