3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H44N4O6 |
| IUPAC Name | 3-[2-[[3-(2-carboxyethyl)-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-2-ylium-2-yl]methyl]-5-[[(2s)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-2-ylium-3-yl]propanoic acid |
| Molecular Mass | 592.726 g·mol−1 |
| Heat of Formation | -1167.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.88 ± 1.08 D |
| Volume | 776.79 Å 3 |
| Surface Area | 549.98 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | 0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OBHRVMZSZIDDEK-SVBPBHIXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |