7,7,8,12,13,22-Hexahydroxy-21-(Hydroxymethyl)-3,6,16-Trioxo-2,17,20,23-Tetraoxapentacyclo[16.3.1.1~8,11~.0~4,9~.0~10,15~]Tricosa-4,10,12,14-Tetraen-19-Yl 3,4,5-Trihydroxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C27H22O19 |
| IUPAC Name | 7,7,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1 8,11 .0 4,9 .0 10,15 ]tricosa-4,10,12,14-tetraen-19-yl 3,4,5-trihydroxybenzoate |
| Molecular Mass | 650.452 g·mol−1 |
| Heat of Formation | -2997.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.47 ± 1.08 D |
| Volume | 634.86 Å 3 |
| Surface Area | 498.88 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CXTMLIMZRPKULL-DDKHUQCISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |