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911661-90-0 | O-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-3,5-diiodo-L-tyrosine
CAS No: 911661-90-0 Catalog No: AG0036SP MDL No:
Product Description
Catalog Number:
AG0036SP
Chemical Name:
O-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-3,5-diiodo-L-tyrosine
CAS Number:
911661-90-0
Molecular Formula:
C21H13I6NO5
Molecular Weight:
1120.7584
IUPAC Name:
(2S)-2-amino-3-[4-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C21H13I6NO5/c22-11-4-9(5-12(23)18(11)29)32-20-15(26)6-10(7-16(20)27)33-19-13(24)1-8(2-14(19)25)3-17(28)21(30)31/h1-2,4-7,17,29H,3,28H2,(H,30,31)/t17-/m0/s1
InChI Key:
DBVHFBLWQRLBJN-KRWDZBQOSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
UNII:
1D91H0NG3B
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
1120.506g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1120.764g/mol
Monoisotopic Mass:
1120.506g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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