[8-Acetamido-6,7-Dihydroxy-5-(Hydroxymethyl)-5,6,7,8-Tetrahydroimidazo[1,2-A]Pyridin-3-Yl]Acetic Acid

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Formula C12H17N3O6
IUPAC Name 2-[(5r,6s,7r,8s)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-8a-ylium-3-yl]acetic acid
Molecular Mass 299.280 g·mol−1
Heat of Formation -1041.9 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 332.92 Å 3
Surface Area 288.23 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey OBMORLCFLUTVPI-CZULRBLNSA-N
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