(1S,2S,3R,5Z,7E)-2-[2-(2H-Tetrazol-2-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-2-yl)ethyl]cyclohexane-1,3-diol |
| Molecular Mass | 512.727 g·mol−1 |
| Heat of Formation | -427.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.86 ± 1.08 D |
| Volume | 681.44 Å 3 |
| Surface Area | 549.05 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | 2.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IFHRQILUGOUOIV-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 |