(1R,4S,5S,12R,15S,16S)-16-Hydroxy-2,13-Dioxo-8,19-Dioxa-23,24-Dithia-3,14-Diazahexacyclo[10.10.2.0~1,14~.0~3,12~.0~4,10~.0~15,21~]Tetracosa-6,9,17,20-Tetraen-5-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C20H18N2O7S2 |
| IUPAC Name | (1r,4s,5s,12r,15s,16s)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.0 1,14 .0 3,12 .0 4,10 .0 15,21 ]tetracosa-6,9,17,20-tetraen-5-yl acetate |
| Molecular Mass | 462.496 g·mol−1 |
| Heat of Formation | -824.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.12 ± 1.08 D |
| Volume | 468.46 Å 3 |
| Surface Area | 364.15 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HXWOWBFXYUFFKS-PSJNWGMYSA-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 |