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17365-01-4 | Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-, ethyl ester
CAS No: 17365-01-4 Catalog No: AG001Z3S MDL No:
Product Description
Catalog Number:
AG001Z3S
Chemical Name:
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-, ethyl ester
CAS Number:
17365-01-4
Molecular Formula:
C18H17I4NO4
Molecular Weight:
818.9498
IUPAC Name:
ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate
InChI:
InChI=1S/C18H17I4NO4/c1-3-26-17(25)18(2,23)8-9-4-13(21)16(14(22)5-9)27-10-6-11(19)15(24)12(20)7-10/h4-7,24H,3,8,23H2,1-2H3
InChI Key:
LWZCMKGGFONJPB-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)(N)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
818.734g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
818.955g/mol
Monoisotopic Mass:
818.734g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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