1-Naphthyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C16H16O7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-naphthyloxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 320.294 g·mol−1
Heat of Formation -1071.9 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 352.65 Å 3
Surface Area 304.16 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-naphthyloxy)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-naphthyloxy)tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-naphthalen-1-yloxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylic acid
  • 1-naphthyl glucuronide
  • alpha-naphthyl-beta-d-glucuronide
  • beta-d-glucopyranosiduronic acid, 1-naphthalenyl
CAS Number(s)
  • 17238-47-0
  • 27710-10-7
InChIKey KEQWBZWOGRCILF-JHZZJYKESA-N
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