(5Xi)-1-O-{2-[(2,3-Dimethylphenyl)Amino]Benzoyl}-β-L-Lyxo-Hexopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C21H23NO8 |
IUPAC Name | (2s,3s,4s,5r,6r)-6-[2-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 417.409 g·mol−1 |
Heat of Formation | -1315.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.45 ± 1.08 D |
Volume | 467.11 Å 3 |
Surface Area | 379.48 Å 2 |
HOMO Energy | -8.44 ± 0.55 eV |
LUMO Energy | -0.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | DAHIGOGKMFBIOR-DKLJTFSYSA-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 |