1-(α-L-Arabinopyranosyl)-3-Carboxypyridinium

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Properties Simple | Detailed

Formula C11H15NO6
IUPAC Name 1-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]-4h-pyridin-4-ide-3-carboxylate
Molecular Mass 257.240 g·mol−1
Heat of Formation -803.5 ± 16.7 kJ·mol−1
Dipole Moment 18.21 ± 1.08 D
Volume 277.99 Å 3
Surface Area 252.28 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]-3-pyridin-1-iumcarboxylic acid
  • 1-[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]pyridin-1-ium-3-carboxylic acid
  • 1-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]pyridin-1-ium-3-carboxylic acid
InChIKey CXAXMXZAQOSPOI-AXTSPUMRSA-O
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