(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(4-Amino-5-Bromo-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}Sulfanyl)Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H20BrN5O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| Molecular Mass | 462.319 g·mol−1 |
| Heat of Formation | -691.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 451.87 Å 3 |
| Surface Area | 350.6 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -0.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DIULHULFPSIBAK-TWBCTODHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |