1-({[(3α,8Xi,9Xi,14Xi,17Xi)-3-Hydroxycholest-5-En-3-Yl]Amino}Oxy)-2-(2,4,6-Triiodobenzyl)-1-Butanone
Properties
Property | Value |
---|---|
Formula | C38H56I3NO3 |
IUPAC Name | [[(3r,8r,9r,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]amino] (2s)-2-[(2,4,6-triiodophenyl)methyl]butanoate |
Molecular Mass | 955.570 g·mol−1 |
Heat of Formation | -504.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.81 ± 1.08 D |
Volume | 901.57 Å 3 |
Surface Area | 674.72 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | OZOBNBRCHCPBJL-CRFPKHPESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |