N-[(2R,3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-[6-[[(1R)-Tetralin-1-Yl]Amino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3-Yl]-3,5-Dimethoxy-Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C29H34N6O6 |
| IUPAC Name | n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-[[(1r)-tetralin-1-yl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide |
| Molecular Mass | 562.617 g·mol−1 |
| Heat of Formation | -610.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.96 ± 1.08 D |
| Volume | 646.79 Å 3 |
| Surface Area | 535.38 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | 2.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LVYDYRCBNABPGC-ZUURFMEUSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |