(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Isonicotinoylhydrazino)Tetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H15N3O7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazino]tetrahydropyran-2-carboxylic acid
Molecular Mass 313.263 g·mol−1
Heat of Formation -1028.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 335.92 Å 3
Surface Area 290.42 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-(pyridine-4-carbonyl)hydrazinyl)oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-pyridin-4-ylcarbonylhydrazinyl)oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(n'-(pyridine-4-carbonyl)hydrazino)tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[n'-[oxo-(4-pyridyl)methyl]hydrazino]-2-tetrahydropyrancarboxylic acid
  • alpha-d-glucopyranuronic acid, 1-deoxy-1-(2-(4-pyridinylcarbonyl)hydrazino)-
  • inhg
  • isonicotinoylhydrazine glucuronide
CAS Number(s)
  • 135467-94-6
InChIKey QVJOLLPKYFYTIH-UBVHSMIISA-N
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