[(2S,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H18N5O14P3+ |
IUPAC Name | [(2s,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 525.196 g·mol−1 |
Heat of Formation | -3170.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 14.66 ± 1.08 D |
Volume | 493.88 Å 3 |
Surface Area | 404.61 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -1.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | NCSGABSBAJSLTH-FULWYAMNSA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |