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

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Formula C20H29N10O22P5
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]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 916.367 g·mol−1
Heat of Formation -5007.6 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 863.1 Å 3
Surface Area 696.1 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey RTFJKYGWDNIVFR-XPWFQUROSA-P
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