N-(2-Phenylethyl)-β-D-Glucopyranuronosylamine

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Properties Simple | Detailed

Formula C14H19NO6
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethylamino)tetrahydropyran-2-carboxylic acid
Molecular Mass 297.304 g·mol−1
Heat of Formation -1005.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 344.2 Å 3
Surface Area 313.09 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethylamino)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethylamino)tetrahydropyran-2-carboxylic acid
  • 2-phenylethylamine glucuronide
  • beta-d-glucopyranuronic acid, 1-deoxy-1-((2-phenylethyl)amino)-
  • phenethylamine glucuronide
CAS Number(s)
  • 51643-42-6
InChIKey OYNLGXUYULDVEJ-IEECTRCBSA-N
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