[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-(4-Azidobenzoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C17H21N8O15P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-(4-azidobenzoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 670.315 g·mol−1
Heat of Formation -2860.5 ± 16.7 kJ·mol−1
Dipole Moment 10.05 ± 1.08 D
Volume 647.03 Å 3
Surface Area 489.12 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry C1
InChIKey BVZDMVMDDPABLC-JOGDPCBZSA-P
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