(7α,17Beta)-7-{11-[4-(~125~I)Iodophenoxy]Undecyl}Estra-1,3,5(10)-Triene-3,17-Diol
Properties
Property | Value |
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Formula | C35H49IO3 |
IUPAC Name | (7r,8r,9s,13s,14s,17s)-7-[11-(4-iodobenzene-2,3,5,6-tetraid-1-yl)oxyundec-10-ynyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular Mass | 642.666 g·mol−1 |
Heat of Formation | -612.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.51 ± 1.08 D |
Volume | 734.96 Å 3 |
Surface Area | 622.82 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | 2.82 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | PUATYBXLOTXELQ-ZBOICZJLSA-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 |