N-(4-{[(4Xi)-2-Acetamido-2-Deoxy-4-O-(β-D-Mannopyranosyl)-β-D-Xylo-Hexopyranosyl]Oxy}Phenyl)-2,2,2-Trifluoroacetamide
Properties
| Property | Value |
|---|---|
| Formula | C22H29F3N2O12 |
| IUPAC Name | n-[4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]-2,2,2-trifluoro-acetamide |
| Molecular Mass | 570.467 g·mol−1 |
| Heat of Formation | -2708.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.89 ± 1.08 D |
| Volume | 609.63 Å 3 |
| Surface Area | 502.69 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SJWYSIVCIHYIKL-PTPLVUFYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |