Methyl (5S,6S,8R)-6-Hydroxy-5-Methyl-13-Oxo-5,6,7,8,14,15-Hexahydro-13H-5,8-Epoxy-4B,8A,14-Triazadibenzo[B,H]Cycloocta[1,2,3,4-Jkl]Cyclopenta[E]-As-Indacene-6-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C27H21N3O5 |
| IUPAC Name | methyl (5s,6s,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate |
| Molecular Mass | 467.473 g·mol−1 |
| Heat of Formation | -440.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.46 ± 1.08 D |
| Volume | 507.82 Å 3 |
| Surface Area | 390.74 Å 2 |
| HOMO Energy | -7.96 ± 0.55 eV |
| LUMO Energy | -0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KOZFSFOOLUUIGY-BLIZRMSTSA-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 |