Disodium L-tyrosinate

C₉H₉NNa₂O₃CAS 69847-45-6225.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₉NNa₂O₃
Molar mass: 225.15 g/mol
Exact mass: 225.0378 Da
logP: -0.41Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

69847-45-6

SMILES

N[C@@H](Cc1ccc([O-])cc1)C([O-])=O.[Na+].[Na+]

InChIKey

NKQKDBKPUPDYCQ-JZGIKJSDSA-N

InChI

InChI=1S/C9H11NO3.2Na/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h1-4,8,11H,5,10H2,(H,12,13);;/t8-;;/m0../s1

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Names and synonyms

2 names

L-Tyrosine, sodium salt (1:2)
L-Tyrosine, disodium salt

Work with Disodium L-tyrosinate

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

Liothyronine sodium55-06-145 % similar Levothyroxine sodium50809-32-044 % similar Levothyroxine sodium55-03-844 % similar L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, hydrate (1:1:?)25416-65-342 % similar D-Tyrosine556-02-540 % similar Dl-tyrosine556-03-640 % similar Tyrosine60-18-440 % similar 4-Amino-dl-phenylalanine2922-41-039 % similar

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

Elsewhere

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