(2S)-2-[[4-[2-(2-Amino-4-Oxo-Pyrrolo[2,3-D]Pyrimidin-7-Ium-2-Ylium-5-Yl)Ethyl]Benzoyl]Amino]-4-(1,4-Diaza-2-Azonia-3-Azanidacyclopenta-1,4-Dien-5-Yl)Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H28N9O4+ |
| IUPAC Name | (2s)-2-[[4-[2-[(2s,4ar,5r,7as)-2-amino-4-oxo-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-3-ium-5-yl]ethyl]benzoyl]amino]-4-(2h-tetrazol-5-yl)butanoic acid |
| Molecular Mass | 458.494 g·mol−1 |
| Heat of Formation | -209.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.12 ± 1.08 D |
| Volume | 510.54 Å 3 |
| Surface Area | 449.76 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MXQYRRJQZLDMGQ-XYZLFDRDSA-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 |