[(2R,3S,4R,5R)-5-(4-Amino-3-Ethynyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H15N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-3-ethynyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 372.251 g·mol−1
Heat of Formation -1010.4 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 355.42 Å 3
Surface Area 304.6 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey DXZYHBPODUZONO-WOUKDFQISA-O
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