1-Deoxy-1-{[(E)-2-(4,5-Dioxo-4,5-Dihydro-1H-Indol-3-Yl)Vinyl]Amino}-β-D-Fructopyranose

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Properties Simple | Detailed

Formula C16H18N2O7
IUPAC Name 3-[(e)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]vinyl]indol-1-ium-7a-ylium-4,5-dione
Molecular Mass 350.323 g·mol−1
Heat of Formation -967.1 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 381.53 Å 3
Surface Area 345.27 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-desoxyfructo-alpha,beta-dehydro-4,5-dioxotryptamine
  • 1-dfddt
  • 3-[(e)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-2-tetrahydropyranyl]methylamino]vinyl]-1h-indole-4,5-dione
  • 3-[(e)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]ethenyl]-1h-indole-4,5-dione
  • 3-[(e)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]vinyl]-1h-indole-4,5-dione
  • 3-[(e)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]vinyl]-1h-indole-4,5-quinone
  • beta-d-fructopyranose, 1-deoxy-1-((2-(4,5-dihydro-4,5-dioxo-1h-indol-3-yl)ethenyl)amino)-
CAS Number(s)
  • 82695-94-1
InChIKey LLGJQUQOLNBXBT-MXWIPWLSSA-N
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