2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl β-D-Threo-Hexopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C21H18O13 |
IUPAC Name | (2s,3s,4r,5s,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 478.360 g·mol−1 |
Heat of Formation | -2050.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.26 ± 1.08 D |
Volume | 481.91 Å 3 |
Surface Area | 381.12 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -1.48 ± eV |
Point Group Symmetry | C1 |
InChIKey | DUBCCGAQYVUYEU-VFKUPZNOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |