(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid

• ChemBase ID: 3480
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: N[C@H](Cc1ccc(O)cc1)C(=O)O
• Canonical SMILES: OC(=O)[C@@H](Cc1ccc(cc1)O)N
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
• InChIKey: OUYCCCASQSFEME-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
• IUPAC Traditional name: (.+-.)-tyrosine
• Synonyms: D-Tyrosine; H-D-Tyr-OH; (R)-2-Amino-3-(4-hydroxyphenyl)propionic acid; D-Tyrosine; D-3-[4-Hydroxyphenyl]alanine; 3-(4-Hydroxyphenyl)-D-alanine; D-2-Amino-3-(4-hydroxyphenyl)propionic acid; D-酪胺酸; (R)-2-氨基-3-(4-羟基苯基)丙酸; 3-(4-羟基苯基)-D-丙氨酸; D-酪氨酸

Database IDs

• CAS Number: 556-02-5
• EC Number: 209-112-6
• MDL Number: MFCD00063073
• Beilstein Number: 2212157
• Merck Index: 149839
• PubChem SID: 24888381; 24889933; 160966919; 46504669
• PubChem CID: 71098; 6057

CALCULATED PROPERTIES

JChem

• Acid pKa: 1.9998473
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4884841
• LogD (pH = 7.4): -1.495157
• Log P: -1.488594
• Molar Refractivity: 47.0972 cm^3
• Polarizability: 18.512522 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.39
• LOG S: -1.37
• Solubility (Water): 7.67e+00 g/l

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); 310-314°C
• Optical Rotation: [α]20/D +10.3°, c = 5 in 1 M HCl; [α]20/D +11.5±1.0°, c = 4% in 1 M HCl; +11 (c=4 in 1N HCl)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (NT); 98%; 98.5%; 99%
• Grade: puriss.; ReagentPlus®
• Optical Purity: ee: 99% (GLC)
• Linear Formula: 4-(HO)C6H4CH2CH(NH2)CO2H

DETAILS

MP Biomedicals - 02103175

Crystalline
Purity: 98.5% min.

DrugBank - DB03839

• Drug Groups: experimental
• Description: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin. [PubChem]

Sigma Aldrich - 855456

Packaging
5 g in glass bottle
500 mg in glass bottle
Legal Information
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