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

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Formula C10H15N5O8P2
IUPAC Name [(2s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 395.202 g·mol−1
Heat of Formation -1810.3 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 394.4 Å 3
Surface Area 353.35 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey XSEGNTMVQSHUNX-NKWVEPMBSA-O
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