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26041-51-0 | L-Tyrosine, N-acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
CAS No: 26041-51-0 Catalog No: AG002RH5 MDL No:
Product Description
Catalog Number:
AG002RH5
Chemical Name:
L-Tyrosine, N-acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
CAS Number:
26041-51-0
Molecular Formula:
C17H13I4NO5
Molecular Weight:
818.9067
IUPAC Name:
(2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C17H13I4NO5/c1-7(23)22-14(17(25)26)4-8-2-12(20)16(13(21)3-8)27-9-5-10(18)15(24)11(19)6-9/h2-3,5-6,14,24H,4H2,1H3,(H,22,23)(H,25,26)/t14-/m0/s1
InChI Key:
NERGVJCCFAPEMR-AWEZNQCLSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)NC(=O)C
UNII:
G10YJB626N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
818.697g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
818.911g/mol
Monoisotopic Mass:
818.697g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| [The biotin-thyroxin conjugate as a bifunctional ligand of binding proteins]. | Bioorganicheskaia khimiia 20090101 |
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