1H-Indol-3-Yl 6-O-(Carboxyacetyl)-β-D-Arabino-Hexopyranosid-3-Ulose

Molecule SVG Image

Properties Simple | Detailed

Formula C17H17NO9
IUPAC Name 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-oxo-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid
Molecular Mass 379.318 g·mol−1
Heat of Formation -1365.5 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 408.37 Å 3
Surface Area 321.49 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-keto-tetrahydropyran-2-yl]methoxy]-3-keto-propionic acid
  • 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-oxo-2-tetrahydropyranyl]methoxy]-3-oxopropanoic acid
  • 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-oxo-oxan-2-yl]methoxy]-3-oxo-propanoic acid
  • 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-oxo-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid
  • 3-[[(2r,3r,5r,6s)-3,5-dihydroxy-6-(1h-indol-3-yloxy)-4-oxooxan-2-yl]methoxy]-3-oxopropanoic acid
InChIKey HZZHOGRFRUCYQW-QQDQCYIDSA-N
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