[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Phenyl Hydrogen Phosphate

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Formula C16H18N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phenyl hydrogen phosphate
Molecular Mass 423.317 g·mol−1
Heat of Formation -1166.1 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 444.78 Å 3
Surface Area 378.2 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey YOHWKEFMNYYAIA-XNIJJKJLSA-O
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