1-O-[(11-Oxo-6,11-Dihydrodibenzo[B,E]Oxepin-2-Yl)Acetyl]-β-D-Glucopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C22H20O10 |
IUPAC Name | (2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[2-(11-oxo-6h-benzo[c][1]benzoxepin-2-yl)acetyl]oxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 444.388 g·mol−1 |
Heat of Formation | -1532.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.15 ± 1.08 D |
Volume | 478.6 Å 3 |
Surface Area | 421.09 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | 2.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | NCYWNHLOMITKET-SPNOPHAYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |