chempirical

Reverse triiodothyronine

C15H12I3NO4CAS 5817-39-0650.98 g/mol

Open in Covalent MOL file
H2NOIOHIIOHO
Aryl halideCarboxylic acidEtherPhenolPrimary amine

Properties

Molecular formula
C15H12I3NO4
Molar mass
650.98 g/mol
Exact mass
650.7900 Da
Melting point
206 °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
5817-39-0
SMILES
N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChIKey
HZCBWYNLGPIQRK-LBPRGKRZSA-N
InChI
InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
  • Alanine, 3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]-, L-
  • O-(4-Hydroxy-3,5-diiodophenyl)-3-iodo-L-tyrosine
  • 3,3′,5′-Triiodo-L-thyronine
  • 3,3′,5′-Triiodothyronine
  • rT3
  • Reverse T3
  • 3′,5′,3-Triiodothyronine
  • Reverse L-triiodothyronine
  • Isoliothyronine
  • 3,3′,5′-L-Triiodothyronine
  • 3,3′,5′-T3
  • (2S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
  • (S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acid
  • (S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoicacid

Work with Reverse 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

3,3′-Diiodo-L-thyronine4604-41-577 % similar (±)-Thyroxine300-30-174 % similar (-)-Thyroxine51-48-974 % similar D-Thyroxine51-49-074 % similar 3′,5′-Diiodo-L-tyrosine300-39-070 % similar 3-Iodo-L-tyrosine70-78-062 % similar Diiodothyronine1041-01-658 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-153 % similar

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

Same formula

Triiodothyronine6893-02-3

Elsewhere

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