[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [Hydroxy-[(1S)-1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H25N6O16P3+
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
Molecular Mass 674.343 g·mol−1
Heat of Formation -3184.2 ± 16.7 kJ·mol−1
Dipole Moment 14.27 ± 1.08 D
Volume 657.84 Å 3
Surface Area 440.57 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
InChIKey IYVNFNKVRHCACH-AIGITPBPSA-P
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