[[(2S,3R,4R,5R)-5-(2,6-Dioxo-3H-Purin-7-Ium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N4O15P3
IUPAC Name [[(2s,3r,4r,5r)-5-(2,6-dioxo-3h-purin-7-ium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 525.173 g·mol−1
Heat of Formation -3445.2 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 480.33 Å 3
Surface Area 401.07 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
InChIKey KDZDBHDFVVWRQH-BZKDHIKHSA-Q
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