[(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C10H15N8O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 469.221 g·mol−1
Heat of Formation -1857.0 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 450.1 Å 3
Surface Area 362.46 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey VAGJDHGJMYSEST-UUOKFMHZSA-O
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