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

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Formula C10H16N5O13P3
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3004.4 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 479.43 Å 3
Surface Area 406.41 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey WNHNWJWMTFHCOU-KQYNXXCUSA-O
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