[[(1S)-1,2-Bis[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethoxy]-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H27N10O16P3 |
| IUPAC Name | [[(1s)-1,2-bis[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 756.407 g·mol−1 |
| Heat of Formation | -3355.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.80 ± 1.08 D |
| Volume | 743.43 Å 3 |
| Surface Area | 549.88 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -1.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CVEQTUPDMKAWBB-ISLWMSOASA-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 |