(1R,3R,4S,9S,16S,18S,19S,21S)-16-(Hydroxymethyl)-13-Methoxy-12-Methyl-11,14-Dioxo-5-Oxa-8,17,20-Triazahexacyclo[15.3.1.0~3,19~.0~4,8~.0~9,18~.0~10,15~]Henicosa-10(15),12-Diene-21-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C21H24N4O5 |
| IUPAC Name | (1r,3r,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0 3,19 .0 4,8 .0 9,18 .0 10,15 ]henicosa-10(15),12-diene-21-carbonitrile |
| Molecular Mass | 412.439 g·mol−1 |
| Heat of Formation | -419.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.32 ± 1.08 D |
| Volume | 459.2 Å 3 |
| Surface Area | 354.64 Å 2 |
| HOMO Energy | -9.39 ± 0.55 eV |
| LUMO Energy | -1.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UVAIYWZSCCGGSE-VNEJAINRSA-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 |