[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Amino-3-(1,5-Dihydroimidazol-3-Ium-5-Id-4-Yl)Propanoate

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Formula C16H22N8O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-3-(1,5-dihydroimidazol-3-ium-5-id-4-yl)propanoate
Molecular Mass 485.368 g·mol−1
Heat of Formation -1359.0 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 500.93 Å 3
Surface Area 434.15 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey FKVQKJLULFDCKF-OPYVMVOTSA-P
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