Diiodothyronine

C₁₅H₁₃I₂NO₄CAS 1041-01-6525.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Phenol Primary amine

Properties

Molecular formula: C₁₅H₁₃I₂NO₄
Molar mass: 525.08 g/mol
Exact mass: 524.8934 Da
Melting point: 255 °C
logP: 3.35Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1041-01-6

SMILES

N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O

InChIKey

ZHSOTLOTTDYIIK-ZDUSSCGKSA-N

InChI

InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1

Weigh it out

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

Names and synonyms

12 names

L-Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-
Alanine, 3-[4-(p-hydroxyphenoxy)-3,5-diiodophenyl]-, L-
O-(4-Hydroxyphenyl)-3,5-diiodo-L-tyrosine
3,5-Diiodo-L-thyronine
Diiodo-L-thyronine
3,5-Diiodothyronine
L-3,5-Diiodothyronine
L-T2
L-Diiodothyronine
NSC 90469
(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
3,5-Diiodothyronine, L-

Work with Diiodothyronine

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

Triiodothyronine6893-02-378 % similar (+-)-Thyroxine300-30-175 % similar (-)-Thyroxine51-48-975 % similar D-Thyroxine51-49-075 % similar DL-Thyronine1034-10-269 % similar Thyronine1596-67-469 % similar 3',5'-Diiodo-L-tyrosine300-39-063 % similar 3 5-Diiodo-L-tyrosine dihydrate 9818835-59-159 % similar

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

Same formula

3,3′-Diiodo-L-thyronine4604-41-5

Elsewhere

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