[(1R,3S,5R,6R,8R)-6-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-3-Oxido-2,4,7-Trioxa-3Λ4-Vanadabicyclo[3.3.0]Octan-8-Yl]Methyl Dihydrogen Phosphate

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Formula C10H14N5O9PV
IUPAC Name [(1r,3s,5r,6r,8r)-6-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-3-oxido-2,4,7-trioxa-3λ4-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate
Molecular Mass 430.162 g·mol−1
Heat of Formation -1722.6 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 399.51 Å 3
Surface Area 357.02 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey DUUGDDBCBMFMLK-MSQVLRTGSA-N
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