6-{2-[2-(4-Methyl-3-Nitrophenoxy)-2-Propanyl]-4-(3-Pyridinyl)-1,3-Dioxan-5-Yl}-4-Hexenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H30N2O7 |
| IUPAC Name | (e)-6-[(2r,4r,5s)-2-[1-methyl-1-(4-methyl-3-nitro-phenoxy)ethyl]-4-(3h-pyridin-1-ium-3-id-5-yl)-1,3-dioxan-5-yl]hex-4-enoic acid |
| Molecular Mass | 470.515 g·mol−1 |
| Heat of Formation | -774.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.37 ± 1.08 D |
| Volume | 563.42 Å 3 |
| Surface Area | 440.85 Å 2 |
| HOMO Energy | -9.28 ± 0.55 eV |
| LUMO Energy | 1.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YDVMAXZQUCBVQL-JZRAUWTPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |