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

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Formula C10H15N5O9P2
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 411.202 g·mol−1
Heat of Formation -1992.1 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 398.71 Å 3
Surface Area 352.14 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey RJBPWRHTWCHIFB-RRKCRQDMSA-O
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