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

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Formula C10H18N6O9P2
IUPAC Name [(2s,3s,4r,5r)-3-amino-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 428.232 g·mol−1
Heat of Formation -2013.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 417.08 Å 3
Surface Area 350.47 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey CIRFSJCEHGAMJB-QYYRPYCUSA-O
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