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

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Formula C12H19N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-(2-hydroxyethyl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 455.254 g·mol−1
Heat of Formation -2188.3 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 463.22 Å 3
Surface Area 398.93 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey GYODNZBDBLWYBN-PNFUHCLESA-O
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