(2R,3R,3As,5S,7R,7Ar)-2-(4-Formyl-2-Oxo-2,3-Dihydro-1H-Imidazol-1-Yl)-3,7-Dihydroxyhexahydro-2H-Furo[3,2-B]Pyran-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H14N2O8
IUPAC Name (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-oxo-imidazole-1,3-diium-1-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid
Molecular Mass 314.248 g·mol−1
Heat of Formation -1247.8 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 328.14 Å 3
Surface Area 286.03 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-keto-3h-imidazol-1-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2h-furo[5,4-e]pyran-5-carboxylic acid
  • (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-oxo-3h-imidazol-1-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2h-furo[5,4-e]pyran-5-carboxylic acid
  • (2r,3r,3as,5s,7r,7ar)-3,7-dihydroxy-2-(4-methanoyl-2-oxo-3h-imidazol-1-yl)-3,3a,5,6,7,7a-hexahydro-2h-furo[2,3-e]pyran-5-carboxylic acid
  • d-glycero-beta-d-allo-octafuranuronic acid, 3,7-anhydro-1,6-dideoxy-1-(2,3-dihydro-4-formyl-2-oxo-1h-imidazol-1-yl)-
  • d-glycero-beta-d-allo-octofuranuronic acid, 3,7-anhydro-1,6-dideoxy-1-(2,3-dihydro-4-formyl-2-oxo-1h-imidazol-1-yl)-
  • nikkomycin s(x)
  • nikkomycin s-x
  • nikkomycin sx
CAS Number(s)
  • 140447-97-8
InChIKey UUPCVEZRKOQLAH-PIAOCPBHSA-N
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