chempirical

3′,5′-Diiodo-L-tyrosine

C9H9I2NO3CAS 300-39-0432.98 g/mol

Open in Covalent MOL file
H2NIOHIOHO
Aryl halideCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C9H9I2NO3
Molar mass
432.98 g/mol
Exact mass
432.8672 Da
Melting point
188 °C
logP
1.56Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
300-39-0
SMILES
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
InChIKey
NYPYHUZRZVSYKL-ZETCQYMHSA-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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • L-Tyrosine, 3,5-diiodo-
  • Tyrosine, 3,5-diiodo-, L-
  • 3,5-Diiodo-L-tyrosine
  • L-3,5-Diiodotyrosine
  • DIT
  • DIT (amino acid)
  • NSC 4143
  • Bijodtyrosin
  • (2S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Work with 3′,5′-Diiodo-L-tyrosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Thyroxine300-30-179 % similar (-)-Thyroxine51-48-979 % similar D-Thyroxine51-49-079 % similar Reverse triiodothyronine5817-39-070 % similar 3-Iodo-L-tyrosine70-78-068 % similar 3,5-Dibromo-L-tyrosine300-38-965 % similar Diiodothyronine1041-01-663 % similar Triiodothyronine6893-02-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook