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24381-12-2 | 2-iodoestradiol
CAS No: 24381-12-2 Catalog No: AG00BUMW MDL No:
Product Description
Catalog Number:
AG00BUMW
Chemical Name:
2-iodoestradiol
CAS Number:
24381-12-2
IUPAC Name:
(8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H23IO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
InChI Key:
JZYOQPBSKIOCIK-XSSYPUMDSA-N
NSC Number:
671618
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
398.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.284g/mol
Monoisotopic Mass:
398.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Molecular imaging as a tool for translating breast cancer science. | Breast cancer research : BCR 20080101 |
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