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

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Formula C16H25N5O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoate
Molecular Mass 557.343 g·mol−1
Heat of Formation -2773.7 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 579.11 Å 3
Surface Area 477.05 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey YKDIRYMMFLGMLK-FSRKKXLISA-O
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