[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R,4R)-3,4,5-Trihydroxy-2-Oxo-Pentyl] Hydrogen Phosphate

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Formula C15H23N5O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r,4r)-3,4,5-trihydroxy-2-oxo-pentyl] hydrogen phosphate
Molecular Mass 559.316 g·mol−1
Heat of Formation -2892.7 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 555.55 Å 3
Surface Area 398.85 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
InChIKey QBIVXZLLIPNBNQ-GKILRDIXSA-O
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