(3S,5S,8R,9S,14R)-8-Hydroxy-14-(2-Hydroxy-3,4-Dimethoxyphenyl)-18-Methyl-4,10-Dioxa-15,16-Dithia-11,18-Diazapentacyclo[11.3.2.0~1,11~.0~3,5~.0~3,9~]Octadec-6-Ene-12,17-Dione
Properties
| Property | Value |
|---|---|
| Formula | C21H22N2O8S2 |
| IUPAC Name | (3s,5s,8r,9s,14r)-8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0 1,11 .0 3,5 .0 3,9 ]octadec-6-ene-12,17-dione |
| Molecular Mass | 494.538 g·mol−1 |
| Heat of Formation | 1513.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.03 ± 1.08 D |
| Volume | 453.14 Å 3 |
| Surface Area | 380.78 Å 2 |
| HOMO Energy | -8.10 ± 0.55 eV |
| LUMO Energy | -2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XOFUALCAHMHEHU-GRQFKFOGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |