Methyl (1S,4As,5S,6R,7R,7As)-6-Chloro-1-(β-D-Glucopyranosyloxy)-5,7-Dihydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C17H25ClO11 |
| IUPAC Name | methyl (1s,4as,5s,6r,7r,7as)-6-chloro-5,7-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate |
| Molecular Mass | 440.827 g·mol−1 |
| Heat of Formation | -2043.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 474.57 Å 3 |
| Surface Area | 386.21 Å 2 |
| HOMO Energy | -10.01 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PPHGTIKABPVQGU-OQIUXGSESA-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 |