1-O-{2-[(3-Carboxy-2-Methylphenyl)Amino]Benzoyl}Hexopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H21NO10 |
| IUPAC Name | (2s,3s,4s,5s,6r)-6-[2-(3-carboxy-2-methyl-anilino)benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 447.392 g·mol−1 |
| Heat of Formation | -1649.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.45 ± 1.08 D |
| Volume | 488.81 Å 3 |
| Surface Area | 384.59 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -1.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QTCMFDMVQUHRND-YJZCJGOMSA-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 |