1-O-{[(3Ar,5As)-1,7,7-Trimethyl-1,2,3,3A,5A,6,7,8-Octahydrocyclopenta[C]Pentalen-4-Yl]Carbonyl}-α-D-Glucopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C21H30O8 |
IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1r,2s,5r,8s)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 410.458 g·mol−1 |
Heat of Formation | -1556.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.37 ± 1.08 D |
Volume | 484.52 Å 3 |
Surface Area | 372.55 Å 2 |
HOMO Energy | -10.30 ± 0.55 eV |
LUMO Energy | -0.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | BFYOGFPGIVIQCC-BVLFZEPGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |