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3,5-Diiodo-L-tyrosine - Substance Summary (SID 152501)


Data Source:   
Depositor: ChemIDplus
External ID: 000300390

Depositor-Supplied Synonyms: (Total: 11)
Display: Next 1 | All | Sort:
3,5-Diiodo-L-tyrosine
DIT (amino acid)
L-3,5-Diiodotyrosine
3,5-L-Diiodotyrosine
3,5-Iodo-L-tyrosine
L-Tyrosine, 3,5-diiodo-
3,5-DIIODOTYROSINE (L)
NSC 4143
EINECS 206-092-0
Tyrosine, 3,5-diiodo-, L- (8CI)


Properties Computed from Structure:
Molecular Weight432.9816 [g/mol]
Molecular FormulaC9H9I2NO3
XLogP3-AA-0.5
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count2
Exact Mass432.867179
MonoIsotopic Mass432.867179
Topological Polar Surface Area83.6
Heavy Atom Count15
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Canonical SMILES: C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N
Isomeric SMILES: C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N
InChI: InChI=1S/C9H9I2NO3/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)/t7-/m0/s1
InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N


Substance Information:
SID 152501   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 9305   
Create Date: 2004-09-16

Related Substances:
Same: 14 Links
Same, Connectivity: 42 Links
Same, Stereochemistry: 23 Links
Same, Isotopes: 33 Links

Similar Substances: 786 Links

     
Compound Displayed

2D

3D
Compound ID9305
Molecular Weight432.9816 [g/mol]
Molecular FormulaC9H9I2NO3
XLogP3-AA-0.5
H-Bond Donor3
H-Bond Acceptor4


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