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6138-47-2 | O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine hydrochloride
CAS No: 6138-47-2 Catalog No: AG00F3BB MDL No:
Product Description
Catalog Number:
AG00F3BB
Chemical Name:
O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine hydrochloride
CAS Number:
6138-47-2
IUPAC Name:
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C15H12I3NO4.ClH/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);1H/t12-;/m0./s1
InChI Key:
HFEMPWKWYHWPQX-YDALLXLXSA-N
EC Number:
228-120-0
UNII:
T66DHO0SET
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
686.767g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
687.435g/mol
Monoisotopic Mass:
686.767g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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