[(2R,3S,4R,5R)-5-(2-Amino-8-Anilino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5S)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C25H31N9O11P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-8-anilino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 664.541 g·mol−1
Heat of Formation -1786.9 ± 16.7 kJ·mol−1
Dipole Moment 12.21 ± 1.08 D
Volume 695.52 Å 3
Surface Area 552.67 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey TZQFZYTXHFHQHB-VXSGUQNHSA-Q
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