chempirical

Thyronine

C15H15NO4CAS 1596-67-4273.29 g/mol

Open in Covalent MOL file
H2NOOHOHO
Carboxylic acidEtherPhenolPrimary amine

Properties

Molecular formula
C15H15NO4
Molar mass
273.29 g/mol
Exact mass
273.1001 Da
Melting point
255 °C (decomposes)
logP
2.14Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1596-67-4
SMILES
N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
InChIKey
KKCIOUWDFWQUBT-AWEZNQCLSA-N
InChI
InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Tyrosine, O-(4-hydroxyphenyl)-
  • Thyronine, L-
  • O-(4-Hydroxyphenyl)-L-tyrosine
  • L-Thyronine
  • Desiodothyroxine
  • β-(p-Hydroxyphenoxy)phenylalanine
  • O-(4-Hydroxyphenyl)tyrosine

Work with Thyronine

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

D-Tyrosine556-02-582 % similar Dl-tyrosine556-03-682 % similar Tyrosine60-18-482 % similar Tyrosine hydrochloride16870-43-276 % similar Diiodothyronine1041-01-669 % similar O-Methyl-D-tyrosine39878-65-468 % similar O-Methyl-L-tyrosine6230-11-168 % similar 4-Bromophenylalanine14091-15-764 % similar

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

Same formula

Dl-thyronine1034-10-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia