5-Hydroxy-2-({(2R,3R,8S,9R,11R)-3,9,11-Trimethyl-8-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H34N2O7 |
| IUPAC Name | 5-hydroxy-2-[[(2s,3r,5r,6r,8r,9r)-3,5,9-trimethyl-2-[(1s)-1-methyl-2-oxo-2-(2h-pyrrol-1-ium-2-ylium-5-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazol-3-ium-4-ide-4-carboxylic acid |
| Molecular Mass | 510.579 g·mol−1 |
| Heat of Formation | -1120.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.39 ± 1.08 D |
| Volume | 599.76 Å 3 |
| Surface Area | 451.97 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | 1.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WULUUVLPLGXOFP-NYPUFZJCSA-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 |