2-Amino-9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-3-O-Methyl-D-Ribofuranosyl]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H19N5O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 538.215 g·mol−1
Heat of Formation -3220.9 ± 16.7 kJ·mol−1
Dipole Moment 8.56 ± 1.08 D
Volume 515.26 Å 3
Surface Area 417.13 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey OHOBECDATGAGJW-KQYNXXCUSA-N
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