(3S,6S,9R,12S,19R)-9-Isobutyl-3,12-Diisopropyl-6-Methyl-19-Nonyl-1-Oxa-4,7,10,13,16-Pentaazacyclononadecane-2,5,8,11,14,17-Hexone
Properties
Property | Value |
---|---|
Formula | C33H59N5O7 |
IUPAC Name | (3r,6s,9r,12s,19s)-9-isobutyl-3,12-diisopropyl-6-methyl-19-nonyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
Molecular Mass | 637.851 g·mol−1 |
Heat of Formation | -1763.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.27 ± 1.08 D |
Volume | 845.79 Å 3 |
Surface Area | 640.78 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | 0.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | KIJLRIARMCGDJZ-KTJDEMTHSA-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 |