4-[(2R)-2-Hydroxy-3-{[2-(2-Methoxyphenoxy)Ethyl]Amino}Propoxy]-9H-Carbazol-1-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C30H34N2O11
IUPAC Name carbon dioxide; 2-[[3-ethynyl-4-(isocyanatomethoxy)-2-methyl-4,7-dihydroindol-1-ium-7-yl]oxy]tetrahydropyran-3,4,5-trione; molecular oxygen
Molecular Mass 598.598 g·mol−1
Heat of Formation -1542.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 682.34 Å 3
Surface Area 590.78 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[4-[(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-[[4-[(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-[[4-[(2r)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9h-carbazol-1-yl]oxy]tetrahydropyran-2-carboxylic acid
  • 1-hydroxycarvedilol o-glucuronide
  • 1-ohcg
  • beta-d-glucopyranosiduronic acid, 4-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-9h-carbazol-1-yl, (r)-
CAS Number(s)
  • 136657-37-9
InChIKey OVZIZPFHZAJOCG-IVODMCMDSA-N
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