(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 |