(2E)-N-[(2R,3S,4As,8R,8Ar)-8-Chloro-2,4A-Dihydroxy-5-Oxo-3,4,4A,5,8,8A-Hexahydro-2H-Chromen-3-Yl]-2-Dodecenamide
Properties
| Property | Value |
|---|---|
| Formula | C21H32ClNO5 |
| IUPAC Name | (e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-chromen-3-yl]dodec-2-enamide |
| Molecular Mass | 413.935 g·mol−1 |
| Heat of Formation | -1014.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.42 ± 1.08 D |
| Volume | 508.29 Å 3 |
| Surface Area | 454.22 Å 2 |
| HOMO Energy | -9.71 ± 0.55 eV |
| LUMO Energy | -0.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BQBLZAMUHGIEFL-JRVIZFGFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |