(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(4-Amino-5-Bromo-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H22BrN5O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| Molecular Mass | 464.335 g·mol−1 |
| Heat of Formation | -695.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.55 ± 1.08 D |
| Volume | 458.9 Å 3 |
| Surface Area | 387.25 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -0.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NWMVEUDJLXKZHQ-TWBCTODHSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N S Br |