(3S,6S,9R,12S,19S)-3-Benzyl-19-(2-Hexanyl)-9-Isobutyl-12-Isopropyl-6-Methyl-1-Oxa-4,7,10,13,16-Pentaazacyclononadecane-2,5,8,11,14,17-Hexone
Properties
| Property | Value |
|---|---|
| Formula | C34H53N5O7 |
| IUPAC Name | (3s,6s,9r,12s,19s)-3-benzyl-9-isobutyl-12-isopropyl-6-methyl-19-[(1r)-1-methylpentyl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
| Molecular Mass | 643.814 g·mol−1 |
| Heat of Formation | -1548.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.89 ± 1.08 D |
| Volume | 833.09 Å 3 |
| Surface Area | 596.94 Å 2 |
| HOMO Energy | -9.32 ± 0.55 eV |
| LUMO Energy | 0.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HVPYLVISSBODEY-FUEQGUQPSA-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 |