3-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-4,6-Dimethyl-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Properties Simple | Detailed

Formula C14H17N5O4++
IUPAC Name 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-imidazo[1,2-a]purine-3,4,8-triium-4a-ylium-9-one
Molecular Mass 319.316 g·mol−1
Heat of Formation -371.3 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 353.74 Å 3
Surface Area 311.88 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey IPHXYLSCKSTFDP-IVZWLZJFSA-N
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