3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-5-Pentylphenyl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C27H38O8 |
IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1r,6s)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-phenoxy]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 490.586 g·mol−1 |
Heat of Formation | -1456.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.01 ± 1.08 D |
Volume | 610.97 Å 3 |
Surface Area | 472.95 Å 2 |
HOMO Energy | -8.65 ± 0.55 eV |
LUMO Energy | 3.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | DTPDUSBNMCFKKQ-SOJDERBVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |