3-(2-Acetamidoethyl)-5-Methoxy-1H-Indol-6-Yl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C13H16N2O6S
IUPAC Name [3-(2-acetamidoethyl)-5-methoxy-indol-1-ium-6-yl] hydrogen sulfate
Molecular Mass 328.341 g·mol−1
Heat of Formation -902.4 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 360.0 Å 3
Surface Area 302.91 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-hydroxymelatonin sulfate ester
  • 6-hydroxymelatoninsulfate
  • 6-sulfatoxymelatonin
  • 6-sulphatoxy melatonin
  • 6-sulphatoxymelatonin
  • acetamide, n-(2-(5-methoxy-6-(sulfooxy)-1h-indol-3-yl)ethyl)-
CAS Number(s)
  • 2208-40-4
InChIKey QQEILXDLZRLTME-UHFFFAOYSA-N
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