[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-(Sulfomethyl)Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C11H19N5O12P2S |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-(sulfomethyl)phosphinic acid |
| Molecular Mass | 507.307 g·mol−1 |
| Heat of Formation | -2437.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.51 ± 1.08 D |
| Volume | 494.28 Å 3 |
| Surface Area | 389.65 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OOKVAZKFPFFVQJ-IOSLPCCCSA-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 |