3,8,10-Trihydroxy-2-(Hydroxymethyl)-9-Methoxy-6-Oxo-2,3,4,4A,6,10B-Hexahydropyrano[3,2-C]Isochromen-4-Yl 3,4,5-Trihydroxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C21H20O13 |
| IUPAC Name | [(2r,3r,4s,4ar,10bs)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate |
| Molecular Mass | 480.376 g·mol−1 |
| Heat of Formation | -2027.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.31 ± 1.08 D |
| Volume | 497.91 Å 3 |
| Surface Area | 424.56 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | -1.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QKSHSFQTWCKTFV-ZKHWGGICSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |