Phenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C12H14O7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 270.235 g·mol−1
Heat of Formation -1141.5 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 294.92 Å 3
Surface Area 267.49 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)tetrahydropyran-2-carboxylic acid
InChIKey WVHAUDNUGBNUDZ-GOVZDWNOSA-N
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