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

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Formula C20H27N10O16P3
IUPAC Name bis[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 756.407 g·mol−1
Heat of Formation -3289.4 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 736.95 Å 3
Surface Area 585.07 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey LAPGGKNWEUDVBT-XPWFQUROSA-P
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