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

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Formula C10H15N6O6P
IUPAC Name [(2r,3s,5r)-5-(2,6-diaminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 346.236 g·mol−1
Heat of Formation -1154.7 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 352.44 Å 3
Surface Area 313.46 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey TXGMJUMUXRMPOQ-KVQBGUIXSA-O
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