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

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Properties Simple | Detailed

Formula C11H15N4O4
IUPAC Name 6-amino-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5h-imidazo[4,5-c]pyridin-1-ium-3a-id-4-one
Molecular Mass 267.261 g·mol−1
Heat of Formation -534.2 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 293.26 Å 3
Surface Area 263.59 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey OOTXWXIGABJBRB-WXMCVSJQSA-O
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