[[(2R,3S,4R,5R)-5-[6-(6-Aminohexylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C16H29N6O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 606.355 g·mol−1
Heat of Formation -3132.8 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 620.05 Å 3
Surface Area 508.89 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
InChIKey PWIXWYJUBGCDBB-XNIJJKJLSA-O
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