(1S,4As,7R,7As)-1-(β-D-Glucopyranosyloxy)-4'-[(1S)-1-Hydroxyethyl]-5'-Oxo-4A,7A-Dihydro-1H,5'H-Spiro[Cyclopenta[C]Pyran-7,2'-Furan]-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H24O12 |
IUPAC Name | 4'-(1-hydroxyethyl)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[4a,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid |
Molecular Mass | 456.397 g·mol−1 |
Heat of Formation | 120.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.07 ± 1.08 D |
Volume | 472.09 Å 3 |
Surface Area | 353.02 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -1.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | GGLAWDIODKKBQZ-VHAJBJMWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |