[(2E)-1-Methyl-3-(2,4,6-Trichlorophenyl)-2-Triazen-1-Yl]Methyl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C14H16Cl3N3O7 |
IUPAC Name | (2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-[[methyl-[(e)-(2,4,6-trichlorophenyl)azo]amino]methoxy]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 444.652 g·mol−1 |
Heat of Formation | -1129.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.27 ± 1.08 D |
Volume | 445.13 Å 3 |
Surface Area | 362.45 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | 1.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | YTMCIHZHJQPZNT-QUWWKDIESA-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 Cl |