[[(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
Properties
Property | Value |
---|---|
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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Elements | P C H O N |