β-D-Ethyl Glucuronide

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Properties Simple | Detailed

Formula C8H14O7
IUPAC Name (2s,3s,4s,5r,6r)-6-ethoxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 222.193 g·mol−1
Heat of Formation -1293.3 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 246.3 Å 3
Surface Area 229.29 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-ethoxy-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-ethoxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-ethoxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKey IWJBVMJWSPZNJH-UQGZVRACSA-N
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