(1Xi)-1,4-Anhydro-1-(5-Carbamoyl-4-Hydroxy-1H-Pyrazol-3-Yl)-5-Deoxy-D-Ribitol

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Formula C9H13N3O5
IUPAC Name 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-4-hydroxy-pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 243.217 g·mol−1
Heat of Formation -752.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 261.15 Å 3
Surface Area 239.05 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey ZDFJFGFVFKMTSC-FLLFQEBCSA-N
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