chempirical

Triiodothyronine

C15H12I3NO4CAS 6893-02-3650.98 g/mol

Open in Covalent MOL file
H2NIOOHIIOHO
Aryl halideCarboxylic acidEtherPhenolPrimary amine

Properties

Molecular formula
C15H12I3NO4
Molar mass
650.98 g/mol
Exact mass
650.7900 Da
Melting point
236.5 °C (decomposes)
logP
3.95Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6893-02-3
SMILES
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
InChIKey
AUYYCJSJGJYCDS-LBPRGKRZSA-N
InChI
InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1

Weigh it out

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

Names and synonyms

23 names · show all
  • L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
  • Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-
  • Thyronine, 3,3′,5-triiodo-, L-
  • O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine
  • T3 (Amino acid)
  • Liothyronine
  • Tresitope
  • L-3,3′,5-Triiodothyronine
  • 3,5,3′-Triiodothyronine
  • Triiodo-L-thyronine
  • 3,3′,5-Triiodothyronine
  • 3,3′,5-Triiodo-L-thyronine
  • L-Liothyronine
  • Liothyronin
  • L-T3
  • L-Triiodothyronine
  • T3
  • T3 (Hormone)
  • 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine
  • NSC 80203
  • Cyronine
  • (2S)-2-Azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
  • (S)-2-Amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoicacid

Work with Triiodothyronine

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

Diiodothyronine1041-01-678 % similar 3,3′-Diiodo-L-thyronine4604-41-577 % similar (±)-Thyroxine300-30-174 % similar (-)-Thyroxine51-48-974 % similar D-Thyroxine51-49-074 % similar 3-Iodo-L-tyrosine70-78-072 % similar Liothyronine sodium55-06-171 % similar Triac51-24-162 % similar

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

Same formula

Reverse triiodothyronine5817-39-0

Elsewhere

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