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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O