(2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidin-3-Ium-5-Yl)Ethyl]Benzoyl]Amino]Pentanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H22N5O6+ |
| IUPAC Name | (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-3-ium-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
| Molecular Mass | 428.419 g·mol−1 |
| Heat of Formation | -854.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.52 ± 1.08 D |
| Volume | 483.43 Å 3 |
| Surface Area | 428.72 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GMUBVQYOVPTOHL-ZDUSSCGKSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |