N-{4-[(4,6-Dimethyl-2-Pyrimidinyl)Sulfamoyl]Phenyl}-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C18H24N4O7S
IUPAC Name n-(4,6-dimethylpyrimidin-2-yl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]benzenesulfonamide
Molecular Mass 440.471 g·mol−1
Heat of Formation -1108.0 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 489.36 Å 3
Surface Area 407.15 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • benzenesulfonamide, n-(4,6-dimethyl-2-pyrimidinyl)-4-(beta-d-glucopyranosylamino)-
  • n(4)-glucopyranosylsulfamethazine
  • n(4)-gpsm
  • n-(4,6-dimethyl-2-pyrimidinyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]amino]benzenesulfonamide
  • n-(4,6-dimethylpyrimidin-2-yl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide
  • n-(4,6-dimethylpyrimidin-2-yl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]benzenesulfonamide
  • n-(4,6-dimethylpyrimidin-2-yl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]amino]benzenesulfonamide
CAS Number(s)
  • 55101-26-3
InChIKey UZUWIBWKPPMOMV-NQNKBUKLSA-N
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