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

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Formula C16H27N6O7P
IUPAC Name [(2s,3r,4r,5r)-5-[6-(6-aminohexylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 446.395 g·mol−1
Heat of Formation -1412.8 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 493.67 Å 3
Surface Area 433.11 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey UGPIJHNQTLLTDM-CNXAATOLSA-O
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