[(2R,3S,4R,5R)-5-[4-Amino-3-(1-Aza-3-Azonia-2-Azanidacyclopenta-3,5-Dien-4-Yl)Pyrazolo[3,4-D]Pyrimidin-1-Ium-3A,4,7-Triid-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H17N8O7P
IUPAC Name [(2r,3s,4r,5r)-5-[4-amino-3-(1-aza-3-azonia-2-azanidacyclopenta-3,5-dien-4-yl)pyrazolo[3,4-d]pyrimidin-1-ium-3a,4,7-triid-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 416.286 g·mol−1
Heat of Formation -1016.5 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 419.72 Å 3
Surface Area 356.78 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey NWFXOSLOHWUXDG-JJNLEZRASA-O
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