[[(2S,3S,5R)-5-(2-Amino-8-Azido-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N8O11P2
IUPAC Name [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
Molecular Mass 486.229 g·mol−1
Heat of Formation -2082.2 ± 16.7 kJ·mol−1
Dipole Moment 10.89 ± 1.08 D
Volume 459.96 Å 3
Surface Area 372.72 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey ZWUXQLIQKXQNGK-LWKDLAHASA-P
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