5-[(2R)-2-Hydroxy-3-{[2-(2-Methoxyphenoxy)Ethyl]Amino}Propoxy]-9H-Carbazol-1-Yl β-D-Glucopyranosiduronic Acid

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Formula C30H30N2O11
IUPAC Name [3-[8-[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxycarbazol-9-ium-4-yl]oxy-2-oxo-propyl]-ethynyl-azanide; 6-methoxycyclohexa-2,4-dien-1-one
Molecular Mass 594.566 g·mol−1
Heat of Formation -1546.5 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 677.82 Å 3
Surface Area 591.93 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[5-[(2r)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9h-carbazol-1-yl]oxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[5-[(2r)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9h-carbazol-1-yl]oxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[5-[(2r)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9h-carbazol-1-yl]oxy]tetrahydropyran-2-carboxylic acid
  • 8-hydroxycarvedilol o-glucuronide
  • 8-ohcg
  • beta-d-glucopyranosiduronic acid, 5-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-9h-carbazol-1-yl, (r)-
CAS Number(s)
  • 136657-39-1
InChIKey VNOMSNHAOHVOPZ-IVODMCMDSA-N
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