5-Amino-2-[(1-Phenyl-1H-Pyrazol-5-Yl)Sulfamoyl]Phenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C21H22N4O9S
IUPAC Name (2s,3s,4s,5r,6s)-6-[5-amino-2-[(2-phenylpyrazol-3-yl)sulfamoyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 506.486 g·mol−1
Heat of Formation -1169.4 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 541.64 Å 3
Surface Area 433.19 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[5-amino-2-[(2-phenyl-3-pyrazolyl)sulfamoyl]phenoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5-amino-2-[(2-phenylpyrazol-3-yl)sulfamoyl]phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5-amino-2-[(2-phenylpyrazol-3-yl)sulfamoyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5-amino-2-[(2-phenylpyrazol-3-yl)sulfamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • beta-d-glucopyranosiduronic acid, 5-amino-2-(((1-phenyl-1h-pyrazol-5-yl)amino)sulfonyl)phenyl-
  • sn2-gluc
  • sulfaphenazole-n(2)-glucuronide
  • sulfaphenazole-n2-glucuronide
CAS Number(s)
  • 37393-47-8
InChIKey AANCZFPBBIRXRT-ZFORQUDYSA-N
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