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

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Formula C15H25N5O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3r)-2,3-dihydroxy-4-oxo-pentyl] phosphate
Molecular Mass 545.332 g·mol−1
Heat of Formation -2410.8 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 548.25 Å 3
Surface Area 384.71 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey JROWSPOCLXTIBM-GHVQHMAVSA-O
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