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51725-31-6

51725-31-6 | Tyrosine, 3,5-diiodo-O-(3-iodophenyl)-

CAS No: 51725-31-6 Catalog No: AG006U04 MDL No:

Product Description

Catalog Number:
AG006U04
Chemical Name:
Tyrosine, 3,5-diiodo-O-(3-iodophenyl)-
CAS Number:
51725-31-6
Molecular Formula:
C15H12I3NO3
Molecular Weight:
634.9741
IUPAC Name:
(2S)-2-amino-3-[3,5-diiodo-4-(3-iodophenoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H12I3NO3/c16-9-2-1-3-10(7-9)22-14-11(17)4-8(5-12(14)18)6-13(19)15(20)21/h1-5,7,13H,6,19H2,(H,20,21)/t13-/m0/s1
InChI Key:
RYNFIHJMHIOLDH-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cccc(c1)I)N

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
634.795g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
634.978g/mol
Monoisotopic Mass:
634.795g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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