disodium (2S)-2-amino-3-(4-oxidophenyl)propanoate hydrate

• ChemBase ID: 132613
• Molecular Formular: C9H11NNa2O4
• Molecular Mass: 243.16748
• Monoisotopic Mass: 243.0483464
• SMILES: c1cc(ccc1C[C@@H](C(=O)[O-])N)[O-].O.[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)[C@H](Cc1ccc(cc1)[O-])N.O.[Na+].[Na+]
• InChI: InChI=1S/C9H11NO3.2Na.H2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;/h1-4,8,11H,5,10H2,(H,12,13);;;1H2/q;2*+1;/p-2/t8-;;;/m0.../s1
• InChIKey: SMJHYQCAVHUILN-CZDIJEQGSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (2S)-2-amino-3-(4-oxidophenyl)propanoate hydrate
• IUPAC Traditional name: disodium L-tyrosinate hydrate
• Synonyms: L-Tyrosine disodium salt hydrate; L-3-(4-Hydroxyphenyl)alanine disodium salt hydrate; L-3-(4-羟苯基)丙氨酸 二钠盐 水合物; L-酪氨酸 二钠盐 水合物

Database IDs

• CAS Number: 69847-45-6(anhydrous)
• MDL Number: MFCD08276422
• PubChem SID: 24900029; 24899937; 162226890
• PubChem CID: 57347586

CALCULATED PROPERTIES

• Acid pKa: 1.9998473
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4884841
• LogD (pH = 7.4): -1.495157
• Log P: -1.488594
• Molar Refractivity: 68.4846 cm^3
• Polarizability: 18.1378 Å^3
• Polar Surface Area: 89.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white to beige powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: nwg
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... GRIN2D(2906)mouse ... GRIN2D(14814)rat ... GRIN2D(24412)

Product Information

• Purity: ≥98% (TLC)
• Suitability: suitable for cell culture; suitable for insect cell culture
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C9H9NNa2O3 · xH2O

DETAILS

Sigma Aldrich - T1145

Caution
Extremely hygroscopic.
Other Notes
Amino acid precursor of dopamine and other catecholamines
General description
Tyrosine is a polar, non-essential amino acid with a phenolic functionality. L-tyrosine is a natural amino acid that is incorporated into proteins as directed by the genetic code. The phenolic function makes the tyrosine residue in proteins a principle recipient of reactions such as phosphorylation/dephosphorylation important for cell signalling. Tyrosine is also a precursor of various neurotransmitters and hormones.
Suitability
This product has been qualified for use in insect cell cultures.

Sigma Aldrich - T2269

Other Notes
多巴胺和其他儿茶酚胺的氨基酸前体