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

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Properties Simple | Detailed

Formula C14H19N7O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methyl-4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 412.318 g·mol−1
Heat of Formation -982.1 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 430.79 Å 3
Surface Area 333.33 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey MTHBJNJVFHMRAD-IDTAVKCVSA-O
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