(13R,16Ar)-13-[(1R,2S)-1,2-Dihydroxyheptyl]-1,4,5,6,7,8,9,10,11,13,16,16A-Dodecahydropyrido[2,1-D][1,5,9]Triazacyclotridecin-2(3H)-One
Properties
| Property | Value |
|---|---|
| Formula | C21H39N3O3 |
| IUPAC Name | (1s,13r,17r)-17-[(1r,2r)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one |
| Molecular Mass | 381.553 g·mol−1 |
| Heat of Formation | -703.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.41 ± 1.08 D |
| Volume | 496.36 Å 3 |
| Surface Area | 372.2 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | 0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KZZKPJBKEJKNAK-ANTGDGSKSA-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 |