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35591-33-4 | 3,5-diiodo-L-tyrosine ethyl ester
CAS No: 35591-33-4 Catalog No: AG00D278 MDL No:
Product Description
Catalog Number:
AG00D278
Chemical Name:
3,5-diiodo-L-tyrosine ethyl ester
CAS Number:
35591-33-4
IUPAC Name:
ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
InChI:
InChI=1S/C11H13I2NO3/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6/h3-4,9,15H,2,5,14H2,1H3/t9-/m0/s1
InChI Key:
SQXBQMHYZIZTER-VIFPVBQESA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.898g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.038g/mol
Monoisotopic Mass:
460.898g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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