3-(2-Aziridinyl)-3,7,8,10,12B-Pentahydroxy-9,12-Dimethoxy-3,4,4A,12B-Tetrahydro-1,6(2H,5H)-Tetraphenedione
Properties
| Property | Value |
|---|---|
| Formula | C22H23NO9 |
| IUPAC Name | (3s,4ar,12bs)-3-[(2r)-aziridin-2-yl]-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione |
| Molecular Mass | 445.419 g·mol−1 |
| Heat of Formation | -1279.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.21 ± 1.08 D |
| Volume | 474.52 Å 3 |
| Surface Area | 385.21 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | 3.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UYHQCZYRKRLVIT-MYUIQPDSSA-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 |