(1E)-1-Chloro-3-Ethyl-1-Penten-4-Yn-3-Yl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C13H17ClO7 |
IUPAC Name | (2s,3s,4s,5r,6s)-6-[(e,1s)-3-chloro-1-ethyl-1-ethynyl-allyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 320.723 g·mol−1 |
Heat of Formation | -1032.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.10 ± 1.08 D |
Volume | 302.94 Å 3 |
Surface Area | 252.86 Å 2 |
HOMO Energy | -9.96 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | QVPCVYXUELXQBC-DPNXDDFFSA-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 |