Acertannin
Properties
Property | Value |
---|---|
Formula | C20H20O13 |
IUPAC Name | [(2r,3s,4s,5r)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate |
Molecular Mass | 468.365 g·mol−1 |
Heat of Formation | -2107.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.89 ± 1.08 D |
Volume | 499.62 Å 3 |
Surface Area | 395.38 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | -1.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | IGKWMHUOBKCUQU-DTTOXWODSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |