(1R,2S,3S,4R,5R)-5-[4-Chloro-3-(4-Ethoxybenzyl)Phenyl]-1-(Hydroxymethyl)-6,8-Dioxabicyclo[3.2.1]Octane-2,3,4-Triol
Properties
Property | Value |
---|---|
Formula | C22H25ClO7 |
IUPAC Name | (1r,2s,3s,4r,5r)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
Molecular Mass | 436.883 g·mol−1 |
Heat of Formation | -1159.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.39 ± 1.08 D |
Volume | 479.19 Å 3 |
Surface Area | 405.88 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | MCIACXAZCBVDEE-VNXMGFANSA-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 |