9-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-6-Ethoxy(~3~H)-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C12H18N5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-ethoxy-purine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 375.274 g·mol−1
Heat of Formation -1347.2 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 397.02 Å 3
Surface Area 338.23 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey WXGDGPAAUVLZNL-XLPZGREQSA-N
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