3-[[(2R,3S,4R,5R)-5-(6-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylcarbamoyl]-3-Hydroxy-Pentanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H19BrN6O9 |
| IUPAC Name | 3-[[(2r,3s,4r,5r)-5-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylcarbamoyl]-3-hydroxy-pentanedioic acid |
| Molecular Mass | 519.261 g·mol−1 |
| Heat of Formation | -1424.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.07 ± 1.08 D |
| Volume | 492.82 Å 3 |
| Surface Area | 408.92 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | -0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RXGJOYAAVZZCCI-MSTPSEHLSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |