Methyl (3As,4S,6Ar)-4-(5-Methoxy-5-Oxopentyl)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazole-1-Carboxylate

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Properties Simple | Detailed

Formula C13H20N2O5S
IUPAC Name methyl (3ar,6s,6as)-6-(5-methoxy-5-oxo-pentyl)-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazole-3-carboxylate
Molecular Mass 316.373 g·mol−1
Heat of Formation -927.2 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 366.36 Å 3
Surface Area 332.63 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,4s,6ar)-2-keto-4-(5-keto-5-methoxy-pentyl)-3a,4,6,6a-tetrahydro-3h-thieno[3,4-d]imidazole-1-carboxylic acid methyl ester
  • (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-3h-thieno[3,4-d]imidazole-1-carboxylic acid methyl ester
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo, methyl ester, (3as-(3aalpha,4beta,6aalpha))-
  • methyl (3as,4s,6ar)-4-(5-methoxy-5-oxo-pentyl)-2-oxo-3a,4,6,6a-tetrahydro-3h-thieno[3,4-d]imidazole-1-carboxylate
  • methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-3h-thieno[3,4-d]imidazole-1-carboxylate
  • n1'-methoxycarbonylbiotin methyl ester
CAS Number(s)
  • 4795-59-9
InChIKey BNKOHWLXGAGMAQ-QXEWZRGKSA-N
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