[(2R,3S,5R)-5-(6-Amino-4-Oxo-5H-Pyrazolo[3,4-D]Pyrimidin-7-Ium-3A-Id-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H15N5O7P
IUPAC Name [(2r,3s,5r)-5-(6-amino-4-oxo-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 348.229 g·mol−1
Heat of Formation -1316.0 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 350.56 Å 3
Surface Area 313.79 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey SZNRLSKFYWTNQR-RRKCRQDMSA-P
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