4-[(Trifluoroacetyl)Amino]Phenyl 2-Acetamido-4-O-(2-Acetamido-2-Deoxy-D-Glucopyranosyl)-2-Deoxy-D-Mannopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H30F3N3O13 |
| IUPAC Name | (2s,3s,4r,5s,6r)-5-acetamido-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 625.503 g·mol−1 |
| Heat of Formation | -2950.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.92 ± 1.08 D |
| Volume | 664.7 Å 3 |
| Surface Area | 532.01 Å 2 |
| HOMO Energy | -9.47 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TVBAJMBZMHWBCP-NZVBADMGSA-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 |