(2R,5S,6S)-2,6-Dihydroxy-3-(Hydroxymethyl)-5-[(4-Nitrophenyl)Amino]-3-Cyclohexen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C13H14N2O6 |
| IUPAC Name | (2r,5s,6s)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one |
| Molecular Mass | 294.260 g·mol−1 |
| Heat of Formation | -564.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.92 ± 1.08 D |
| Volume | 321.11 Å 3 |
| Surface Area | 289.67 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | 1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MSMFDSDKVJHLJB-WOPDTQHZSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |