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4367-89-9 | L-Tyrosine, O-(3,5-diiodo-4-methoxyphenyl)-3,5-diiodo-
CAS No: 4367-89-9 Catalog No: AG00739B MDL No:
Product Description
Catalog Number:
AG00739B
Chemical Name:
L-Tyrosine, O-(3,5-diiodo-4-methoxyphenyl)-3,5-diiodo-
CAS Number:
4367-89-9
Molecular Formula:
C16H13I4NO4
Molecular Weight:
790.8966
IUPAC Name:
(2S)-2-amino-3-[4-(3,5-diiodo-4-methoxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C16H13I4NO4/c1-24-14-11(19)5-8(6-12(14)20)25-15-9(17)2-7(3-10(15)18)4-13(21)16(22)23/h2-3,5-6,13H,4,21H2,1H3,(H,22,23)/t13-/m0/s1
InChI Key:
CTRBRDHEPJCPON-ZDUSSCGKSA-N
SMILES:
COc1c(I)cc(cc1I)Oc1c(I)cc(cc1I)C[C@@H](C(=O)O)N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
790.702g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
790.901g/mol
Monoisotopic Mass:
790.702g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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