(3S,6S)-6-(3-Aminopropyl)-3-[(2R)-2-Butanyl]-13-(7-Methylnonyl)-1,4,7,10-Tetraazacyclotridecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C26H49N5O4 |
| IUPAC Name | (3s,6s,13s)-6-(3-aminopropyl)-13-[(7r)-7-methylnonyl]-3-[(1r)-1-methylpropyl]-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| Molecular Mass | 495.698 g·mol−1 |
| Heat of Formation | -1044.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.67 ± 1.08 D |
| Volume | 676.79 Å 3 |
| Surface Area | 541.85 Å 2 |
| HOMO Energy | -9.66 ± 0.55 eV |
| LUMO Energy | 0.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ITBKUPNSNYDPST-RUFWAXPRSA-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 |