3-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-3H-Imidazo[2,1-I]Purine

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Properties Simple | Detailed

Formula C12H14N5O6P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 355.243 g·mol−1
Heat of Formation 98.2 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 368.32 Å 3
Surface Area 320.7 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
InChIKey CACCSKNYAUKFAV-DJLDLDEBSA-P
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