(1S,2S,3R,5Z,7E)-2-[2-(1H-Tetrazol-1-Yl)Ethyl]-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C30H48N4O3
IUPAC Name (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N