3-[(2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4,7-Dihydroimidazo[1,2-A]Purine-1,5-Diium-3A,7-Diid-9-One

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Properties Simple | Detailed

Formula C12H15N5O4
IUPAC Name 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,7-dihydroimidazo[1,2-a]purine-1,5-diium-3a,7-diid-9-one
Molecular Mass 293.279 g·mol−1
Heat of Formation -338.1 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 313.04 Å 3
Surface Area 281.17 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey KDEPBDWENSVBQC-HGPMSQKTSA-P
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