[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H17N5O16P4
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 587.161 g·mol−1
Heat of Formation -3922.3 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 525.89 Å 3
Surface Area 402.76 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey UWUUHNBNCQPDTP-KQYNXXCUSA-O
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