(1R,3R,4S,9S,16S,18S,19S,21S)-11,14-Dihydroxy-16-(Hydroxymethyl)-13-Methoxy-12,20-Dimethyl-5-Oxa-8,17,20-Triazahexacyclo[15.3.1.0~3,19~.0~4,8~.0~9,18~.0~10,15~]Henicosa-10,12,14-Triene-21-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C22H28N4O5 |
| IUPAC Name | (1r,3r,4s,9s,16s,18s,19s,21s)-11,14-dihydroxy-16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.0 3,19 .0 4,8 .0 9,18 .0 10,15 ]henicosa-10,12,14-triene-21-carbonitrile |
| Molecular Mass | 428.482 g·mol−1 |
| Heat of Formation | -562.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.32 ± 1.08 D |
| Volume | 488.55 Å 3 |
| Surface Area | 376.17 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NOKQSFLJDOKXTD-OATCYBTRSA-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 |