1-Deoxy-1-{[2-(5-Methoxy-1H-Indol-3-Yl)Ethyl]Amino}-D-Fructose

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Properties Simple | Detailed

Formula C17H24N2O6
IUPAC Name (3s,4r,5r)-3,4,5,6-tetrahydroxy-1-[2-(5-methoxyindol-1-ium-3-yl)ethylamino]hexan-2-one
Molecular Mass 352.382 g·mol−1
Heat of Formation -943.0 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 420.09 Å 3
Surface Area 373.44 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r,5r)-3,4,5,6-tetrahydroxy-1-[2-(5-methoxy-1h-indol-3-yl)ethylamino]hexan-2-one
  • d-fructose, 1-deoxy-1-((2-(5-methoxy-1h-indol-3-yl)ethyl)amino)-
  • deoxyfructose-5-methoxytryptamine
  • desoxyfructose-5-methoxytryptamine
CAS Number(s)
  • 63553-87-7
InChIKey XQXFGLJKUMUKNL-BRWVUGGUSA-N
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