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104820-74-8 | 16-iodo-11-methoxyestradiol
CAS No: 104820-74-8 Catalog No: AG009QKB MDL No:
Product Description
Catalog Number:
AG009QKB
Chemical Name:
16-iodo-11-methoxyestradiol
CAS Number:
104820-74-8
IUPAC Name:
(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C19H25IO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1/i20-2
InChI Key:
ZKXIUQUNJAKYCW-LMDPIGAJSA-N
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
426.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
426.311g/mol
Monoisotopic Mass:
426.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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