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(S)-2-Amino-3-(4-hydroxy-3-methylphenyl)propanoic acid - ≥95%, high purity , CAS No.17028-03-4

COA

Grade & Purity:

≥95%

Cas Number: 17028-03-4
MDL number: MFCD18663270
PubChem CID: 159657

In stock

Item Number

A770468

Grouped product items
SKU	Size	Availability	Price	Qty
A770468-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$654.90

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Histone Modification (1379)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Tyrosine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Tyrosine and derivatives
Alternative Parents	Phenylalanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	non-proteinogenic L-alpha-amino acid - L-tyrosine derivative
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S)-2-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid
INCHI	InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKey	MQHLULPKDLJASZ-QMMMGPOBSA-N
Smiles	CC1=C(C=CC(=C1)CC(C(=O)O)N)O
Isomeric SMILES	CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
Alternate CAS	2370-57-2
PubChem CID	159657
MeSH Entry Terms	3-methyltyrosine;methyl-3-tyrosine;methyl-3-tyrosine, (DL)-isomer;methyl-3-tyrosine, (L)-isomer;methyl-m-tyrosine

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	195.210 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.09 Da
Monoisotopic Mass	195.09 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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