3',5'-Diiodo-L-tyrosine

C₉H₉I₂NO₃CAS 300-39-0432.98 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

10 names

3′,5′-Diiodo-L-tyrosine
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,5-Diiodo-L-tyrosine dihydrate312693-60-0Hydrate 3 5-Diiodo-L-tyrosine dihydrate 9818835-59-1Hydrate

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

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