(2S,5R,12S,16S)-5-Benzyl-16-[(2S)-2-Butanyl]-2-Isopropyl-4,13,13-Trimethyl-12-(4-Pentyn-1-Yl)-1,11-Dioxa-4,7,15-Triazacycloheptadecane-3,6,10,14,17-Pentone
Properties
| Property | Value |
|---|---|
| Formula | C34H49N3O7 |
| IUPAC Name | (2s,5r,12r,16s)-5-benzyl-2-isopropyl-4,13,13-trimethyl-16-[(1r)-1-methylpropyl]-12-pent-4-ynyl-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone |
| Molecular Mass | 611.769 g·mol−1 |
| Heat of Formation | -1259.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.14 ± 1.08 D |
| Volume | 787.54 Å 3 |
| Surface Area | 550.86 Å 2 |
| HOMO Energy | -9.28 ± 0.55 eV |
| LUMO Energy | 0.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YGNYZDWBKLMWKA-DJWWYRGHSA-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 |