8-Bromo-5'-{[3-Carboxy-2-(Carboxymethyl)-2-Hydroxypropanoyl]Amino}-5'-Deoxyadenosine
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 | -1455.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.07 ± 1.08 D |
| Volume | 487.74 Å 3 |
| Surface Area | 374.84 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -0.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QQTQAKWRRPPHOE-MSTPSEHLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |