1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-Tetraazanonacyclo[18.10.10.0~1,21~.0~2,18~.0~5,17~.0~8,16~.0~9,14~.0~20,32~.0~22,30~]Tetraconta-8(16),9,11,13,37-Pentaen-4-Yl]Acetone
Properties
Property | Value |
---|---|
Formula | C39H95N4O2 |
IUPAC Name | (37z)-19-hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.0 1,21 .0 2,18 .0 5,17 .0 8,16 .0 9,14 .0 20,32 .0 22,30 ]tetraconta-8(16),9,11,13,37-pentaene |
Molecular Mass | 668.324 g·mol−1 |
Heat of Formation | 3574.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 14.68 ± 1.08 D |
Volume | 377.33 Å 3 |
Surface Area | 320.95 Å 2 |
HOMO Energy | -8.33 ± 0.55 eV |
LUMO Energy | -2.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | MNAYPFPXJFJFQO-UJSRWLGGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |