4-Methoxy-3-Indolylmethyl Glucosinolate

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Properties Simple | Detailed

Formula C17H22N2O10S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1z)-2-(4-methoxyindol-1-ium-3-yl)-n-sulfooxy-ethanimidothioate
Molecular Mass 478.494 g·mol−1
Heat of Formation -1431.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 508.56 Å 3
Surface Area 393.06 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-3-indolylmethyl glucosinolate
  • 4-moimg
  • [[2-(4-methoxy-1h-indol-3-yl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(4-methoxy-1h-indol-3-yl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] hydrogen sulfate
  • [[2-(4-methoxy-1h-indol-3-yl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(4-methoxy-1h-indol-3-yl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] hydrogen sulfate
  • [[2-(4-methoxy-1h-indol-3-yl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] hydrogen sulfate
  • beta-d-glucopyranose, 1-thio-, 1-(4-methoxy-n-(sulfooxy)-1h-indole-3-ethanimidate)
InChIKey IIAGSABLXRZUSE-KYKLFQSUSA-N
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