(2S,3S,4S,5R,6S)-6-[({1-[(2,6-Dimethylphenyl)Amino]-1-Oxo-2-Propanyl}Carbamoyl)Oxy]-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H24N2O9 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[[(1r)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]carbamoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 412.391 g·mol−1 |
| Heat of Formation | -1593.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.67 ± 1.08 D |
| Volume | 473.28 Å 3 |
| Surface Area | 405.14 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | 0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CTSRGSCMTKRHQL-ADCCSXPUSA-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 |