1-O-{[2-(2,4-Dichlorophenoxy)Phenyl]Acetyl}-β-D-Glucopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C20H18Cl2O9 |
IUPAC Name | (2s,3s,4s,5r,6s)-6-[2-[2-(2,4-dichlorophenoxy)phenyl]acetyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 473.258 g·mol−1 |
Heat of Formation | -1474.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.50 ± 1.08 D |
Volume | 490.81 Å 3 |
Surface Area | 406.69 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -0.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | XFIVNRQWIBPUSG-HBWRTXEVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Cl |