[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(1R,2R)-2-[(3-Azido-4H-Pyridin-4-Id-1-Yl)Methoxy]-1-Formyl-3-Hydroxy-Propyl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H28N9O13P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(1r,2r)-2-[(3-azido-4h-pyridin-4-id-1-yl)methoxy]-1-formyl-3-hydroxy-propyl] hydrogen phosphate |
| Molecular Mass | 664.436 g·mol−1 |
| Heat of Formation | -2170.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.36 ± 1.08 D |
| Volume | 677.73 Å 3 |
| Surface Area | 461.96 Å 2 |
| HOMO Energy | -7.62 ± 0.55 eV |
| LUMO Energy | -1.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QVTYDMMTZOYALZ-HISDBWNOSA-P |
| 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 |