N-[5-(1,3-Dioxolan-2-Yl)Pentyl]-5-[(3As,4R,6As)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C18H31N3O4S
IUPAC Name 5-[(3as,4r,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[5-(1,3-dioxolan-2-yl)pentyl]pentanamide
Molecular Mass 385.521 g·mol−1
Heat of Formation -788.4 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 488.03 Å 3
Surface Area 363.25 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, n-(5-(1,3-dioxolan-2-yl)pentyl)hexahydro-2-oxo-, (3as-(3alpha,4beta,6aalpha))-
  • 5-[(3as,6r,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[5-(1,3-dioxolan-2-yl)pentyl]valeramide
  • n-(5-(1,3-dioxolan-2-yl)pentyl)hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanamide (3as-(3alpha,4beta,6aalpha))-
  • n-(6-(ethylenedioxy)hexyl)biotinamide
  • n-edhba
CAS Number(s)
  • 124884-03-3
InChIKey FDDGUWPTEKXVBG-CPUCHLNUSA-N
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