[(2R,3S,5R)-3-Hydroxy-5-[2-[[(2S,3S,5R)-5-Hydroxy-2-Pentyl-Tetrahydrofuran-3-Yl]Amino]-6-Oxo-1H-Purine-3,7-Diium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C19H30N5O9P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[2-[[(2s,3s,5r)-5-hydroxy-2-pentyl-tetrahydrofuran-3-yl]amino]-6-oxo-1h-purine-3,7-diium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 503.443 g·mol−1
Heat of Formation -1824.3 ± 16.7 kJ·mol−1
Dipole Moment 8.86 ± 1.08 D
Volume 558.9 Å 3
Surface Area 484.17 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey SNMDZOCAOXQPKT-PKCACUDHSA-P
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