3-O-Acetyl-2,5-Anhydro-1-Deoxy-1-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-O-(4-Hydroxy-2-Methoxy-6-Methylbenzoyl)-D-Allitol
Properties
| Property | Value |
|---|---|
| Formula | C21H24N2O10 |
| IUPAC Name | [(2r,3r,4s,5s)-4-acetoxy-5-[(2,4-dioxopyrimidin-1-yl)methyl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] 4-hydroxy-2-methoxy-6-methyl-benzoate |
| Molecular Mass | 464.423 g·mol−1 |
| Heat of Formation | -1701.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.06 ± 1.08 D |
| Volume | 518.33 Å 3 |
| Surface Area | 414.97 Å 2 |
| HOMO Energy | -9.46 ± 0.55 eV |
| LUMO Energy | -0.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NMEFMJWRPAEIMY-QGWWYQLQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |