Acetaminophen Glucuronide

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Properties Simple | Detailed

Formula C14H17NO8
IUPAC Name (2s,3s,4s,5r,6s)-6-(4-acetamidophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 327.287 g·mol−1
Heat of Formation -1350.1 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 355.81 Å 3
Surface Area 321.77 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-(4-acetamidophenoxy)-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-(4-acetamidophenoxy)-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-(4-acetamidophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • 4-acetamidophenyl beta-d-glucopyranosiduronic acid
  • acetaminophen o-glucuronide
  • beta-d-glucopyranosiduronic acid, 4-(acetylamino)phenyl
CAS Number(s)
  • 16110-10-4
InChIKey IPROLSVTVHAQLE-BYNIDDHOSA-N
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