(1R,3R,4R,6S,13S,15S,16S,18S)-5-(2-Hydroxyethyl)-13-(Hydroxymethyl)-10-Methoxy-9,17-Dimethyl-8,11-Dioxo-5,14,17-Triazapentacyclo[12.3.1.0~3,16~.0~6,15~.0~7,12~]Octadeca-7(12),9-Diene-4,18-Dicarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C23H27N5O5 |
| IUPAC Name | (1r,3r,4r,6s,13s,15s,16s,18s)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0 3,16 .0 6,15 .0 7,12 ]octadeca-7(12),9-diene-4,18-dicarbonitrile |
| Molecular Mass | 453.491 g·mol−1 |
| Heat of Formation | -338.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.79 ± 1.08 D |
| Volume | 517.39 Å 3 |
| Surface Area | 387.43 Å 2 |
| HOMO Energy | -9.50 ± 0.55 eV |
| LUMO Energy | 1.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WTMKTMCADOSNBQ-YRNXTDPVSA-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 |