Methyl (1S,4Ar,5R,6R,7R,7Ar)-1-(β-D-Glucopyranosyloxy)-4A,5,6,7-Tetrahydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C17H26O13 |
| IUPAC Name | methyl (1s,4ar,5r,6r,7r,7ar)-4a,5,6,7-tetrahydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| Molecular Mass | 438.381 g·mol−1 |
| Heat of Formation | -2378.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.84 ± 1.08 D |
| Volume | 466.43 Å 3 |
| Surface Area | 377.87 Å 2 |
| HOMO Energy | -9.82 ± 0.55 eV |
| LUMO Energy | -0.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QNOVPOGNFVHQOK-BLLOBDDWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |