1-[(2R,3R,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Methoxy-Tetrahydrofuran-2-Yl]-5,6-Dihydroimidazo[4,5-D]Pyridazin-3-Ium-7A-Ide-4,7-Dione

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Properties Simple | Detailed

Formula C11H15N4O6
IUPAC Name 1-[(2r,3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-7a-ide-4,7-dione
Molecular Mass 299.260 g·mol−1
Heat of Formation -731.1 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 318.37 Å 3
Surface Area 278.64 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey JSMAKDVZIQQLLK-TZQXKBMNSA-N
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