2-({(3R)-3,9-Dimethyl-8-[1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-5-Hydroxy-1,3-Benzoxazole-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H32N2O7 |
| IUPAC Name | 2-[[(2s,3r,6s,8r,9r)-3,9-dimethyl-2-[(1s)-1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-hydroxy-1,3-benzoxazole-4-carboxylic acid |
| Molecular Mass | 496.552 g·mol−1 |
| Heat of Formation | -1113.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.71 ± 1.08 D |
| Volume | 585.29 Å 3 |
| Surface Area | 416.63 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | 2.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXLFHVNETQTLLA-ONZHGXQOSA-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 |