2-(β-D-Glucopyranosyloxy)Benzyl 1-Hydroxy-6-Oxo-2-Cyclohexene-1-Carboxylate
Properties
Property | Value |
---|---|
Formula | C20H24O10 |
IUPAC Name | [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl (1r)-1-hydroxy-6-oxo-cyclohex-2-ene-1-carboxylate |
Molecular Mass | 424.399 g·mol−1 |
Heat of Formation | -1687.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.87 ± 1.08 D |
Volume | 467.9 Å 3 |
Surface Area | 344.96 Å 2 |
HOMO Energy | -9.63 ± 0.55 eV |
LUMO Energy | -0.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | CZDNLUMNELLDDD-ORRCJIOJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |