(3S,6S,9S,13S,14As)-9-Benzyl-6-Ethyl-3-[(7R)-7-Hydroxy-6-Oxooctyl]-6,13-Dimethyldecahydropyrrolo[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C30H44N4O6 |
| IUPAC Name | (3s,6s,9s,12s,14s)-3-benzyl-6-ethyl-9-[(7r)-7-hydroxy-6-oxo-octyl]-6,14-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
| Molecular Mass | 556.694 g·mol−1 |
| Heat of Formation | -1182.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.83 ± 1.08 D |
| Volume | 696.68 Å 3 |
| Surface Area | 553.82 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | 0.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NJEYLEUCEPGDMG-VGNWIPGISA-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 |