3,5-Dibromo-L-tyrosine

C9H9Br2NO3CAS 300-38-9338.98 g/mol

Open in Covalent MOL file
H2NBrOHBrOOH
Aryl halideCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C9H9Br2NO3
Molar mass
338.98 g/mol
Exact mass
336.8949 Da
Melting point
245 °C
logP
1.87Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
300-38-9
SMILES
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O
InChIKey
COESHZUDRKCEPA-ZETCQYMHSA-N
InChI
InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

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Names and synonyms

9 names
  • L-Tyrosine, 3,5-dibromo-
  • Tyrosine, 3,5-dibromo-, L-
  • 3,5-Dibromotyrosine
  • β-(3,5-Dibromo-4-hydroxyphenyl)alanine
  • Biotiren
  • Bromotiren
  • NSC 210786
  • NSC 97935
  • (2S)-2-Azaniumyl-3-(3,5-dibromo-4-hydroxyphenyl)propanoate

Work with 3,5-Dibromo-L-tyrosine

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',5'-Diiodo-L-tyrosine300-39-065 % similar 3 5-Diiodo-L-tyrosine dihydrate 9818835-59-160 % similar 3,5-Diiodo-L-tyrosine dihydrate312693-60-060 % similar 3,5-Dinitro-L-tyrosine17360-11-159 % similar 4-Bromophenylalanine14091-15-757 % similar 4-Bromo-L-phenylalanine24250-84-857 % similar 3,5-Difluoro-D-phenylalanine266360-63-857 % similar 3,5-Difluoro-L-phenylalanine31105-91-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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