(1R,2R,6S,9R,11S,13S,15R,16R)-13-(1-Hydroxy-1-Methyl-Ethyl)-16-Methyl-3,5,14-Trioxa-16-Azoniatetracyclo[7.7.0.02,6.011,15]Hexadecan-10-One
Properties
| Property | Value |
|---|---|
| Formula | C16H26NO5+ |
| IUPAC Name | (1r,2r,6s,9r,11s,13s,15r,16r)-13-(1-hydroxy-1-methyl-ethyl)-16-methyl-3,5,14-trioxa-16-azoniatetracyclo[7.7.0.02,6.011,15]hexadecan-10-one |
| Molecular Mass | 312.381 g·mol−1 |
| Heat of Formation | -665.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.52 ± 1.08 D |
| Volume | 338.79 Å 3 |
| Surface Area | 296.94 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FCNFRGLVAXCREA-QNZDHBFESA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |