2-Phenyl-2-Propanyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C15H20O7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-methyl-1-phenyl-ethoxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 312.315 g·mol−1
Heat of Formation -1236.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 359.57 Å 3
Surface Area 306.64 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-methyl-1-phenyl-ethoxy)tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-methyl-1-phenylethoxy)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-phenylpropan-2-yloxy)oxane-2-carboxylic acid
  • 2-p-2-p-g
  • 2-phenyl-2-propyl glucuronide
  • 2-phenylpropan-2-ol glucuronide
CAS Number(s)
  • 106760-29-6
InChIKey IDKZSYGHWZFFSU-HNRZYHPDSA-N
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