(2S)-3-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H21N5O19P4 |
| IUPAC Name | (2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-propanoic acid |
| Molecular Mass | 675.223 g·mol−1 |
| Heat of Formation | -4459.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.36 ± 1.08 D |
| Volume | 628.13 Å 3 |
| Surface Area | 468.04 Å 2 |
| HOMO Energy | -9.21 ± 0.55 eV |
| LUMO Energy | -1.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VQBBLDRYWSEBAJ-MACXSXHHSA-O |
| 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 |