[(2S,3R,4R,5R)-5-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C17H20N5O7P
IUPAC Name [(2s,3r,4r,5r)-5-[6-(benzylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 437.344 g·mol−1
Heat of Formation -1228.1 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 462.36 Å 3
Surface Area 398.92 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey IDYSKLGHIZMAGK-HVOFVXBASA-O
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