1-O-[3-(4,5-Diphenyl-1,3-Oxazol-2-Yl)Propanoyl]-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C24H24NO9
IUPAC Name (2s,3s,4s,5r,6s)-6-[3-[4,5-di(phenyl)oxazol-3-ium-5-id-2-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 470.449 g·mol−1
Heat of Formation -1274.9 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 523.53 Å 3
Surface Area 463.5 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[3-[4,5-di(phenyl)-1,3-oxazol-2-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[3-[4,5-di(phenyl)-1,3-oxazol-2-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[3-[4,5-di(phenyl)-2-oxazolyl]-1-oxopropoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[3-[4,5-di(phenyl)oxazol-2-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • beta-d-glucopyranuronic acid, 1-(4,5-diphenyl-2-oxazolepropanoate)
  • oxaprozin glucuronide
  • oxaprozin-1-glucuronide
CAS Number(s)
  • 90283-09-3
InChIKey ZONKPOICDFFRNF-MJRVOHGCSA-N
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