(1S,2S,3R,5Z,7E)-2-[2-(1H-Tetrazol-1-Yl)Ethyl]-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol
Properties
Property | Value |
---|---|
Formula | C30H48N4O3 |
IUPAC Name | (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-2-[2-(tetrazol-1-yl)ethyl]cyclohexane-1,3-diol |
Molecular Mass | 512.727 g·mol−1 |
Heat of Formation | -439.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.27 ± 1.08 D |
Volume | 681.75 Å 3 |
Surface Area | 548.6 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | 2.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | JNEGSYOGGVGOIX-YVUZACRZSA-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 |