2-Amino-7-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C11H17N4O13P3
IUPAC Name [[(2r,3s,5r)-5-(2-amino-4-oxo-1,5-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 506.193 g·mol−1
Heat of Formation -3108.5 ± 16.7 kJ·mol−1
Dipole Moment 9.72 ± 1.08 D
Volume 482.94 Å 3
Surface Area 386.21 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
InChIKey DLLXAZJTLIUPAI-GJMOJQLCSA-N
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