D-Glucose, 6-Deoxy-6-((7-Nitro-4-Benzofurazanyl)Amino)-

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Formula C12H14N4O8
IUPAC Name (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
Molecular Mass 342.262 g·mol−1
Heat of Formation -615.1 ± 16.7 kJ·mol−1
Dipole Moment 11.46 ± 1.08 D
Volume 357.92 Å 3
Surface Area 325.69 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(7-nitrobenzofurazan-4-yl)amino]hexanal
  • 6-deoxy-n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)aminoglucose
  • n-(7-nitrobenz-2-oxa-1,3-diazole)-glucosamine
  • nbd-glucosamine
  • nbdg
CAS Number(s)
  • 108708-22-1
InChIKey DEPMSUUWSGUYKQ-IWXIMVSXSA-N
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