(1S)-5-Deoxy-1-O-Methyl-1-C-[(2R,3S)-3,5,7,10-Tetrahydroxy-4-Oxo-1,2,3,4-Tetrahydro-2-Anthracenyl]-D-Xylulose
Properties
| Property | Value |
|---|---|
| Formula | C20H22O9 |
| IUPAC Name | (2s,3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2h-anthracen-1-one |
| Molecular Mass | 406.383 g·mol−1 |
| Heat of Formation | -1480.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.85 ± 1.08 D |
| Volume | 447.11 Å 3 |
| Surface Area | 378.93 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PIHTXGRVQBTVRE-KFYAXVMHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |