(2S,3S,4S,5R,6S)-6-{2-[(Carboxymethyl)Carbamoyl]Phenoxy}-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Formula C15H17NO10
IUPAC Name (2s,3s,4s,5r,6s)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 371.296 g·mol−1
Heat of Formation -1697.0 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 399.88 Å 3
Surface Area 328.72 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-[(carboxymethylamino)-oxomethyl]phenoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • beta-d-glucopyranosiduronic acid, 2-(((carboxymethyl)amino)carbonyl)phenyl
  • g-2-ohh
  • glucuronyl-2-hydroxyhippurate
  • glucuronyl-o-hydroxybenzoylglycine
  • glucuronyl-salicylurate
CAS Number(s)
  • 79294-81-8
InChIKey YLHIHVLXUROIAA-QKZHPOIUSA-N
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