[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,5R)-3-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H28N7O11P+++ |
IUPAC Name | [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5r)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl] hydrogen phosphate |
Molecular Mass | 573.450 g·mol−1 |
Heat of Formation | -2025.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.63 ± 1.08 D |
Volume | 601.91 Å 3 |
Surface Area | 423.45 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | BROGFZQFXLLSPA-FJLHAGFDSA-R |
QR Code | Generate QR Code |
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Elements | P C H O N |