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111087-71-9 | L-Tyrosine, O-(3-ethenyl-4-hydroxyphenyl)-3,5-diiodo-
CAS No: 111087-71-9 Catalog No: AG007TTH MDL No:
Product Description
Catalog Number:
AG007TTH
Chemical Name:
L-Tyrosine, O-(3-ethenyl-4-hydroxyphenyl)-3,5-diiodo-
CAS Number:
111087-71-9
Molecular Formula:
C17H15I2NO4
Molecular Weight:
551.1142
IUPAC Name:
2-amino-3-[4-(3-ethenyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C17H15I2NO4/c1-2-10-8-11(3-4-15(10)21)24-16-12(18)5-9(6-13(16)19)7-14(20)17(22)23/h2-6,8,14,21H,1,7,20H2,(H,22,23)
InChI Key:
LPRLUAQILJSZDZ-UHFFFAOYSA-N
SMILES:
C=Cc1cc(ccc1O)Oc1c(I)cc(cc1I)C[C@@H](C(=O)O)N
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.909g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
551.119g/mol
Monoisotopic Mass:
550.909g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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