6-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5H-Imidazo[4,5-C]Pyridin-3-Ium-6-Id-4-One

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Properties Simple | Detailed

Formula C11H14N4O5
IUPAC Name 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5h-imidazo[4,5-c]pyridin-3-ium-6-id-4-one
Molecular Mass 282.253 g·mol−1
Heat of Formation -702.5 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 302.84 Å 3
Surface Area 270.57 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey DMWPNIJRLGBPQD-IOTUPYBNSA-O
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