4-Nitrophenyl β-D-Glucopyranosiduronic Acid

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Formula C12H13NO9
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 315.233 g·mol−1
Heat of Formation -1168.2 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 328.46 Å 3
Surface Area 296.58 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid
  • 4-nitrophenyl beta-d-glucuronide
  • 4-nitrophenyl-beta-d-glucopyranosiduronic acid
  • 4-nitrophenylglucuronide
  • p-nitrophenyl beta-d-glucopyranosiduronic acid
CAS Number(s)
  • 60833-84-3
InChIKey QSUILVWOWLUOEU-GOVZDWNOSA-N
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