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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15N3O4S
IUPAC Name 5-[(3ar,6s,6as)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Molecular Mass 273.309 g·mol−1
Heat of Formation -547.0 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 310.11 Å 3
Surface Area 281.05 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-nitroso-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • 5-[(3ar,6s,6as)-2-keto-3-nitroso-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]valeric acid
  • 5-[(3ar,6s,6as)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]pentanoic acid
  • nitrosobiotin
CAS Number(s)
  • 56859-26-8
InChIKey IFUXQNNMTPBRPW-ZKWXMUAHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N