3-[2-(Dimethylamino)Ethyl]-1H-Indol-5-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C18H24N2O7
IUPAC Name (2s,3s,4s,5r,6s)-6-[3-[2-(dimethylamino)ethyl]indol-1-ium-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 380.392 g·mol−1
Heat of Formation -1095.9 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 441.05 Å 3
Surface Area 368.31 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[[3-(2-dimethylaminoethyl)-1h-indol-5-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[3-(2-dimethylaminoethyl)-1h-indol-5-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[3-(2-dimethylaminoethyl)-1h-indol-5-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[3-(2-dimethylaminoethyl)-1h-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • beta-d-glucopyranosiduronic acid, 3-(2-(dimethylamino)ethyl)-1h-indol-5-yl
  • dmguht
  • n,n-dimethyl-o-glucopyranuronosyl-5-hydroxytryptamine
CAS Number(s)
  • 17598-73-1
  • 24703-15-9
InChIKey WWCGYOHFQQBADT-RNGZQALNSA-N
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