Methyl (1R,4Ar,7R,7Ar)-1-(β-D-Glucopyranosyloxy)-7-Hydroxy-7-(Hydroxymethyl)-1,4A,7,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate
Properties
Property | Value |
---|---|
Formula | C17H24O11 |
IUPAC Name | methyl (1r,4ar,7r,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[c]pyran-4-carboxylate |
Molecular Mass | 404.366 g·mol−1 |
Heat of Formation | -1880.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.96 ± 1.08 D |
Volume | 440.94 Å 3 |
Surface Area | 359.54 Å 2 |
HOMO Energy | -9.80 ± 0.55 eV |
LUMO Energy | -0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | XJMPAUZQVRGFRE-HPWCAOHFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |