6-{[(4-Acetamidophenyl)Sulfonyl]Amino}-3-Pyridinyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C19H21N3O10S
IUPAC Name (2s,3s,4s,5r,6s)-6-[[6-[(4-formamidophenyl)sulfonylamino]-3-pyridyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 483.449 g·mol−1
Heat of Formation -1553.0 ± 16.7 kJ·mol−1
Dipole Moment 7.57 ± 1.08 D
Volume 510.14 Å 3
Surface Area 415.98 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[6-[(4-acetamidophenyl)sulfonylamino]-3-pyridyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[6-[(4-acetamidophenyl)sulfonylamino]-3-pyridyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • acetylsulfapyridine-o-glucuronide
  • beta-d-glucopyranosiduronic acid, 6-(((4-(acetylamino)phenyl)sulfonyl)amino)-3-pyridinyl
CAS Number(s)
  • 69233-18-7
InChIKey QFECQALAOHMGAT-YUAHOQAQSA-N
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