(1S,4As,7S,7Ar)-1-(β-D-Glucopyranosyloxy)-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H24O9 |
| IUPAC Name | (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Molecular Mass | 360.356 g·mol−1 |
| Heat of Formation | -1679.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.03 ± 1.08 D |
| Volume | 407.81 Å 3 |
| Surface Area | 346.59 Å 2 |
| HOMO Energy | -9.70 ± 0.55 eV |
| LUMO Energy | -0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DSXFHNSGLYXPNG-BMQDUGJFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |