(1R,2R,3S,4S,4Ar,11Br)-2,3,4,7-Tetrahydroxy-6-Oxo-1,2,3,4,4A,5,6,11B-Octahydro[1,3]Dioxolo[4,5-J]Phenanthridin-1-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C21H19NO9 |
| IUPAC Name | [(1r,2r,3s,4s,4ar,11br)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1h-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] benzoate |
| Molecular Mass | 429.377 g·mol−1 |
| Heat of Formation | -1323.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.80 ± 1.08 D |
| Volume | 449.9 Å 3 |
| Surface Area | 358.77 Å 2 |
| HOMO Energy | -9.23 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DJJSHXTUGRWWMI-QUVFKJLXSA-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 |