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82123-96-4 | 17 alpha-iodovinylestradiol
CAS No: 82123-96-4 Catalog No: AG00GBAB MDL No:
Product Description
Catalog Number:
AG00GBAB
Chemical Name:
17 alpha-iodovinylestradiol
CAS Number:
82123-96-4
IUPAC Name:
(8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C20H25IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,10-12,16-18,22-23H,2,4,6-9H2,1H3/b11-10+/t16-,17-,18+,19+,20?/m1/s1/i21-2
InChI Key:
DQQMDOLPKAVVIE-HASHYOOPSA-N
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
422.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
422.323g/mol
Monoisotopic Mass:
422.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological properties of 7alpha-cyano derivatives of the (17alpha,20E/Z)-[125I]iodovinyl- and 16alpha-[125I]iodo-estradiols. | Steroids 20031201 |
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