[(2S,3S,4R,5S)-2-[[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4,5-Dihydroxy-Tetrahydrofuran-3-Yl] Acetate

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Formula C17H25N5O15P2
IUPAC Name [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] acetate
Molecular Mass 601.352 g·mol−1
Heat of Formation -3083.9 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 598.43 Å 3
Surface Area 490.29 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey LOUGMVBNPBHNQQ-ARMUENPQSA-O
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