[(2R,3S,5S)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-3-[2-(Methylamino)Benzoyl]Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H23N6O11P2
IUPAC Name [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 561.356 g·mol−1
Heat of Formation -2216.6 ± 16.7 kJ·mol−1
Dipole Moment 17.40 ± 1.08 D
Volume 565.68 Å 3
Surface Area 456.73 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey WBNZHTDNTNHLFI-SOZUMNATSA-P
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