Home Other Building Blocks L-3,5-Diiodotyrosine ethyl ester hydrochloride

L-3,5-Diiodotyrosine ethyl ester hydrochloride

CAS No.:
74051-47-1
Catalog Number:
AG008P6M
Molecular Formula:
C11H14ClI2NO3
Molecular Weight:
497.4957
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Product Description
Catalog Number:
AG008P6M
Chemical Name:
L-3,5-Diiodotyrosine ethyl ester hydrochloride
CAS Number:
74051-47-1
Molecular Formula:
C11H14ClI2NO3
Molecular Weight:
497.4957
MDL Number:
MFCD00035073
IUPAC Name:
ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1
InChI Key:
ILBBOCVXEPIPBR-FVGYRXGTSA-N
SMILES:
CCOC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N.Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
496.875g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
497.496g/mol
Monoisotopic Mass:
496.875g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties