5-(Cis-1,4-Dihydroxycyclohexyl)-1,4-Dihydroxy-3-[(2E,4E,6E)-8-(Hydroxymethyl)-2,4,6-Decatrienoyl]-2(1H)-Pyridinone
Properties
| Property | Value |
|---|---|
| Formula | C22H29NO7 |
| IUPAC Name | 5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2e,4e,6e,8s)-8-(hydroxymethyl)deca-2,4,6-trienoyl]pyridin-2-one |
| Molecular Mass | 419.468 g·mol−1 |
| Heat of Formation | -1055.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.70 ± 1.08 D |
| Volume | 494.99 Å 3 |
| Surface Area | 443.76 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WXLPIUFTKBWEGE-PNPVSWLZSA-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 |