[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H27N7O16P2+++ |
| IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 671.403 g·mol−1 |
| Heat of Formation | -3128.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.00 ± 1.08 D |
| Volume | 661.36 Å 3 |
| Surface Area | 487.72 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HAAHYVPAWBJXPL-VMIOUTBZSA-R |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |