(3S,6S,9S,21As)-3,6-Di[(2S)-2-Butanyl]-16-Isobutyl-5,8,9-Trimethyldodecahydropyrrolo[1,2-D][1,4,7,10,13,16]Oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-Hexone
Properties
| Property | Value |
|---|---|
| Formula | C31H53N5O7 |
| IUPAC Name | (3s,10s,13r,16s,19s)-3-isobutyl-10,11,14-trimethyl-13,16-bis[(1s)-1-methylpropyl]-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| Molecular Mass | 607.782 g·mol−1 |
| Heat of Formation | -1588.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.40 ± 1.08 D |
| Volume | 780.05 Å 3 |
| Surface Area | 534.43 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | 0.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WWALEZSSEHJILM-GPTMTGTBSA-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 |