(1S,5S,6R,9S,15E,20R)-6-[(2S)-2-Butanyl]-5-Hydroxy-20-[2-(Methylsulfanyl)Ethyl]-2-Oxa-11,12-Dithia-7,19,22-Triazabicyclo[7.7.6]Docos-15-Ene-3,8,18,21-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C23H37N3O6S3 |
| IUPAC Name | (1s,5s,6r,9s,15e,20r)-5-hydroxy-6-[(1s)-1-methylpropyl]-20-(2-methylsulfanylethyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone |
| Molecular Mass | 547.751 g·mol−1 |
| Heat of Formation | -1205.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.99 ± 1.08 D |
| Volume | 652.21 Å 3 |
| Surface Area | 456.5 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VJXBYUITQBTTQM-DSRNDQRRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |