1,5-Anhydro-2,3,6-Trideoxy-1-[(1R,3R,4R)-4,9-Dihydroxy-3-(2-Methoxy-2-Oxoethyl)-1-Methyl-5,10-Dioxo-3,4,5,10-Tetrahydro-1H-Benzo[G]Isochromen-6-Yl]-3-(Dimethylamino)-D-Threo-Hexitol
Properties
| Property | Value |
|---|---|
| Formula | C25H31NO9 |
| IUPAC Name | (1r,3r,4r)-6-[(2s,4r,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-(2-methoxy-2-oxo-ethyl)-1-methyl-5,10-dioxo-1,3,4,8-tetrahydrobenzo[g]isochromen-8-ide-4,9-diolate |
| Molecular Mass | 489.515 g·mol−1 |
| Heat of Formation | -1491.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.59 ± 1.08 D |
| Volume | 560.9 Å 3 |
| Surface Area | 442.52 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RHBRKICJOIFBBF-XFSKFTBJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
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