[(1R,2S,4R)-4-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-Hydroxy-Cyclopentyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H17N5O6P
IUPAC Name [(1r,2s,4r)-4-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate
Molecular Mass 346.256 g·mol−1
Heat of Formation -1129.4 ± 16.7 kJ·mol−1
Dipole Moment 11.61 ± 1.08 D
Volume 364.92 Å 3
Surface Area 330.68 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey OBZQSBDVEXHKMW-QYNIQEEDSA-P
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