[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(4H-Imidazol-1-Ium-4-Id-3-Yl)Phosphinic Acid

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Formula C13H17N7O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 398.291 g·mol−1
Heat of Formation -936.7 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 408.51 Å 3
Surface Area 339.42 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey CRQVIBGGFYLPGR-QYVSTXNMSA-O
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