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

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Formula C10H17N5O16P4
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Molecular Mass 587.161 g·mol−1
Heat of Formation -3917.2 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 535.84 Å 3
Surface Area 445.39 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey SENBRFPGJDLEOQ-KQYNXXCUSA-O
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