1-O-{[(3S)-9-Fluoro-3-Methyl-10-(4-Methylpiperazin-4-Ium-1-Yl)-7-Oxo-2,3-Dihydro-7H-[1,4]Oxazino[2,3,4-Ij]Quinolin-6-Yl]Carbonyl}-β-D-Glucopyranuronate
Properties
| Property | Value |
|---|---|
| Formula | C24H28FN3O10 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[(2s)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 537.492 g·mol−1 |
| Heat of Formation | -1680.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.69 ± 1.08 D |
| Volume | 585.99 Å 3 |
| Surface Area | 489.81 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | 2.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GACUZKDACXKMSN-VVQRKAEQSA-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 |