(2S)-2-Amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[Hydroxy-[Hydroxy-(Phosphonoamino)Phosphoryl]Oxy-Phosphoryl]Oxy-Ethyl]Sulfanyl-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H26N7O14P3S |
| IUPAC Name | (2s)-2-amino-4-[(2r)-2-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxy-phosphoryl]oxy-ethyl]sulfanyl-butanoic acid |
| Molecular Mass | 653.392 g·mol−1 |
| Heat of Formation | -3181.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.93 ± 1.08 D |
| Volume | 646.93 Å 3 |
| Surface Area | 467.2 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YBSBUKMOSBWSMM-KEPZVFJZSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |