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70438-78-7

70438-78-7 | L-Tyrosine, O-[4-(carboxymethoxy)-3,5-diiodophenyl]-3,5-diiodo-

CAS No: 70438-78-7 Catalog No: AG005IWN MDL No:

Product Description

Catalog Number:
AG005IWN
Chemical Name:
L-Tyrosine, O-[4-(carboxymethoxy)-3,5-diiodophenyl]-3,5-diiodo-
CAS Number:
70438-78-7
Molecular Formula:
C17H13I4NO6
Molecular Weight:
834.9061
IUPAC Name:
(2S)-2-amino-3-[4-[4-(carboxymethoxy)-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C17H13I4NO6/c18-9-1-7(3-13(22)17(25)26)2-10(19)16(9)28-8-4-11(20)15(12(21)5-8)27-6-14(23)24/h1-2,4-5,13H,3,6,22H2,(H,23,24)(H,25,26)/t13-/m0/s1
InChI Key:
JPRSFSJXELNAAJ-ZDUSSCGKSA-N
SMILES:
OC(=O)COc1c(I)cc(cc1I)Oc1c(I)cc(cc1I)C[C@@H](C(=O)O)N

Properties

Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
834.692g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
834.91g/mol
Monoisotopic Mass:
834.692g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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