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

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Formula C14H22N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] butyl hydrogen phosphate
Molecular Mass 403.328 g·mol−1
Heat of Formation -1342.7 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 440.0 Å 3
Surface Area 384.04 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey RIZKKHMHOMITLF-IDTAVKCVSA-O
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