(1S,4As,5S,7As)-7-(Acetoxymethyl)-1-(β-L-Glucopyranosyloxy)-5-Hydroxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H24O12 |
| IUPAC Name | (1s,4as,5s,7as)-7-(acetoxymethyl)-5-hydroxy-1-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid |
| Molecular Mass | 432.376 g·mol−1 |
| Heat of Formation | -2075.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.52 ± 1.08 D |
| Volume | 473.48 Å 3 |
| Surface Area | 383.23 Å 2 |
| HOMO Energy | -9.60 ± 0.55 eV |
| LUMO Energy | -0.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DGDWCRWJRNMRKX-OKEASSFKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |