Phenyl α-L-Idopyranosiduronic Acid

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Properties Simple | Detailed

Formula C12H14O7
IUPAC Name (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 270.235 g·mol−1
Heat of Formation -1189.4 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 290.23 Å 3
Surface Area 256.23 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)-2-tetrahydropyrancarboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)tetrahydropyran-2-carboxylic acid
  • alpha-l-idopyranosiduronic acid, phenyl
  • phenyl-alpha-l-iduronide
  • plidn
CAS Number(s)
  • 39031-71-5
InChIKey WVHAUDNUGBNUDZ-DSPMHBFJSA-N
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