(2S)-2-Amino-3-[3-[[7-Methyl-2,4-Dioxo-10-[(2R,3R,4R)-2,3,4,5-Tetrahydroxypentyl]Benzo[G]Pteridine-1,5-Diium-9A-Id-8-Yl]Methyl]-4H-Imidazol-1-Ium-4-Id-5-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H29N7O8++ |
| IUPAC Name | (2s)-2-amino-3-[1-[[7-methyl-2,4-dioxo-10-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1h-benzo[g]pteridine-3,10-diium-8-yl]methyl]imidazol-4-yl]propanoic acid |
| Molecular Mass | 531.518 g·mol−1 |
| Heat of Formation | -1141.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.54 ± 1.08 D |
| Volume | 582.91 Å 3 |
| Surface Area | 446.55 Å 2 |
| HOMO Energy | -9.49 ± 0.55 eV |
| LUMO Energy | 0.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BVCJIPIDFYFHIC-CNDLSXRNSA-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 |