[[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H17N5O11P2+ |
IUPAC Name | [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate |
Molecular Mass | 445.216 g·mol−1 |
Heat of Formation | -2396.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.98 ± 1.08 D |
Volume | 426.11 Å 3 |
Surface Area | 338.63 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | -0.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | PNZZVKCMCCCLOX-RPDRRWSUSA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |