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

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Properties Simple | Detailed

Formula C11H19N5O14P3
IUPAC Name [[(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 538.215 g·mol−1
Heat of Formation -3182.1 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 509.33 Å 3
Surface Area 383.64 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey LFLYIIQGICJPKA-KQYNXXCUSA-P
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