[(1R)-2-[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-1-[(2S,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Ethyl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H28N8O14P2++ |
IUPAC Name | [(1r)-2-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2s,3s,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl] phosphono hydrogen phosphate |
Molecular Mass | 654.418 g·mol−1 |
Heat of Formation | -2789.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.02 ± 1.08 D |
Volume | 652.91 Å 3 |
Surface Area | 494.86 Å 2 |
HOMO Energy | -9.39 ± 0.55 eV |
LUMO Energy | -1.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | NNYRJGMHPFBETL-VOXFUIGQSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |