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18835-59-1

18835-59-1 | L-Tyrosine, 3,5-diiodo-, hydrate (1:2)

CAS No: 18835-59-1 Catalog No: AG002GUF MDL No:MFCD00016542

Product Description

Catalog Number:
AG002GUF
Chemical Name:
L-Tyrosine, 3,5-diiodo-, hydrate (1:2)
CAS Number:
18835-59-1
Molecular Formula:
C9H13I2NO5
Molecular Weight:
469.0122
MDL Number:
MFCD00016542
IUPAC Name:
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;dihydrate
InChI:
InChI=1S/C9H9I2NO3.2H2O/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15;;/h1-2,7,13H,3,12H2,(H,14,15);2*1H2/t7-;;/m0../s1
InChI Key:
YWAGQOOMOOUEGY-KLXURFKVSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N.O.O

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.888g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
469.014g/mol
Monoisotopic Mass:
468.888g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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