chempirical

Tetraiodothyroacetic acid

C14H8I4O4CAS 67-30-1747.83 g/mol

Open in Covalent MOL file
OHOIOIOHII
Aryl halideCarboxylic acidEtherPhenol

Properties

Molecular formula
C14H8I4O4
Molar mass
747.83 g/mol
Exact mass
747.6601 Da
Melting point
219–220 °C (decomposes)
logP
5.23Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
67-30-1
SMILES
O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIKey
PPJYSSNKSXAVDB-UHFFFAOYSA-N
InChI
InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)

Weigh it out

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

Names and synonyms

7 names
  • Benzeneacetic acid, 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-
  • Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-
  • Thyroacetic acid, 3,3′,5,5′-tetraiodo-
  • 4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid
  • Tetrac
  • 3,5,3′,5′-Tetraiodothyroacetic acid
  • 3,3′,5,5′-Tetraiodothyroacetic acid

Work with Tetraiodothyroacetic acid

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

Triac51-24-170 % similar (±)-Thyroxine300-30-159 % similar (-)-Thyroxine51-48-959 % similar D-Thyroxine51-49-059 % similar Levothyroxine sodium50809-32-052 % similar Levothyroxine sodium55-03-852 % similar L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, hydrate (1:1:?)25416-65-349 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-247 % similar

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

Elsewhere

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