1-O-[2-(4-Chlorophenoxy)-2-Methylpropanoyl]-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C16H19ClO9
IUPAC Name (2s,3s,4s,5r,6s)-6-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 390.770 g·mol−1
Heat of Formation -1594.9 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 422.23 Å 3
Surface Area 334.67 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • beta-d-glucopyranuronic acid, 1-(2-(4-chlorophenoxy)-2-methylpropanoate)
  • clofibric acid glucuronide
  • clofibric beta-glucuronide
  • clofibryl glucuronide
CAS Number(s)
  • 72072-47-0
InChIKey LCJVUUVMVSSIGZ-HNRZYHPDSA-N
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Elements H C O Cl