(2S,3S,4R,5R,6R)-4-(2-Acetamidoethyl)-3,4,5-Trihydroxy-6-(1H-Indol-6-Yloxy)-2-Methoxytetrahydro-2H-Pyran-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H24N2O9
IUPAC Name (2s,3s,4r,5r,6r)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-indol-1-ium-6-yloxy-2-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 424.402 g·mol−1
Heat of Formation -1463.5 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 472.6 Å 3
Surface Area 389.11 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r,6r)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1h-indol-6-yloxy)-2-methoxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4r,5r,6r)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1h-indol-6-yloxy)-2-methoxy-oxane-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1h-indol-6-yloxy)-2-methoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1h-indol-6-yloxy)-2-methoxyoxane-2-carboxylic acid
  • 6-hydroxymelatonin glucuronide
  • beta-d-glucopyranosiduronic acid, 3-(2-(acetylamino)-5-methoxy-1h-indol-6-yl)-
CAS Number(s)
  • 94840-69-4
InChIKey ABFAMHIWAGQWGO-CTRAYCPCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N