2-[[5-[[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylene-Decalin-1-Yl]Methyl]-6-Hydroxy-3,4-Dioxo-Cyclohexa-1,5-Dien-1-Yl]Amino]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H31NO5 |
| IUPAC Name | 2-[[5-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-6-hydroxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl]amino]acetic acid |
| Molecular Mass | 401.496 g·mol−1 |
| Heat of Formation | -830.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.98 ± 1.08 D |
| Volume | 485.62 Å 3 |
| Surface Area | 374.75 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -1.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LJQRQVMBMCUGBH-LAHPKLRZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |