N-[4-(5-Nitro-2-Furyl)-1,3-Thiazol-2-Yl]-β-D-Glucopyranuronosylamine

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Properties Simple | Detailed

Formula C13H13N3O9S
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furyl)-5h-thiazol-3-ium-5-id-2-yl]amino]tetrahydropyran-2-carboxylic acid
Molecular Mass 387.322 g·mol−1
Heat of Formation -930.1 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 395.72 Å 3
Surface Area 355.12 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furyl)-2-thiazolyl]amino]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furyl)thiazol-2-yl]amino]tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid
  • 1-(2-amino-4-(5-nitro-2-furyl)-2-thiazolyl)-1-deoxy-beta-d-glucopyranuronic acid
  • 1-(2-amino-4-(5-nitro-2-furyl)-2-thiazolyl)-1-deoxyglucopyranuronic acid
  • 1-anftdg
  • beta-d-glucopyranuronic acid, 1-deoxy-1-((4-(5-nitro-2-furanyl)-2-thiazolyl)amino)-
CAS Number(s)
  • 131579-68-5
InChIKey UNZPLCRPWDUWLK-QUARPLMYSA-N
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