(3S)-3-(2-Amino-4-Oxo-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-4A-Ylium-7-Yl)-3-(3-Chlorophenyl)Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H20ClN4O3+ |
| IUPAC Name | (3r)-3-[(2s,4ar,7r,7as)-2-amino-4-oxo-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,2-d]pyrimidin-1-ium-7-yl]-3-(3-chlorophenyl)propanoic acid |
| Molecular Mass | 339.797 g·mol−1 |
| Heat of Formation | -329.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.49 ± 1.08 D |
| Volume | 358.07 Å 3 |
| Surface Area | 316.72 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | 2.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JSQWCKFVTFLQNI-SVLXGBFWSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |