Disodium L-tyrosinate

C9H9NNa2O3CAS 69847-45-6225.15 g/mol

Open in Covalent MOL file
H2NO−O−ONa+Na+
Carboxylic acidPhenolPrimary 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
69847-45-6
SMILES
N[C@@H](Cc1ccc([O-])cc1)C([O-])=O.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tyrosine60-18-4Free acid D-Tyrosine556-02-5Free acid, enantiomer DL-Tyrosine556-03-6Free acid, stereo not defined Tyrosine hydrochloride16870-43-2Salt

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 L-Aspartic acid sodium salt monohydrate323194-76-941 % similar Sodium danshensu67920-52-940 % similar p-Amino-DL-phenylalanine hydrate2922-41-039 % similar 4-Amino-L-phenylalanine943-80-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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