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L-Isoleucine allyl ester p-toluenesulfonate salt - 98%, high purity , CAS No.88224-05-9

COA

Grade & Purity:

≥98%

Cas Number: 88224-05-9
Molecular Weight: 343.44
Beilstein Registry Number: 5201628
MDL number: MFCD00043317
PubChem CID: 45382243

In stock

Item Number

I113275

Grouped product items
SKU	Size	Availability	Price
I113275-1g	1g	3	$82.90
I113275-5g	5g	3	$107.90
I113275-25g	25g	3	$439.90
I113275-100g	100g	2	$2,883.90

Basic Description

Synonyms	H-Ile-OAll·TosOH
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

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 Isoleucine 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	Isoleucine and derivatives
Alternative Parents	Alpha amino acid esters p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Fatty acid esters Sulfonyls Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Isoleucine or derivatives - Alpha-amino acid ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Fatty acid ester - Toluene - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary aliphatic amine - Organic nitrogen compound - Primary amine - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
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	4-methylbenzenesulfonic acid;prop-2-enyl (2S,3S)-2-amino-3-methylpentanoate
INCHI	InChI=1S/C9H17NO2.C7H8O3S/c1-4-6-12-9(11)8(10)7(3)5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t7-,8-;/m0./s1
InChIKey	KLSHVPHGOQRRIE-WSZWBAFRSA-N
Smiles	CCC(C)C(C(=O)OCC=C)N.CC1=CC=C(C=C1)S(=O)(=O)O
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)OCC=C)N.CC1=CC=C(C=C1)S(=O)(=O)O
WGK Germany	3
PubChem CID	45382243
Molecular Weight	343.44
Beilstein	5201628

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
A2305517	Certificate of Analysis	Oct 16, 2024	I113275
A2305432	Certificate of Analysis	Oct 16, 2024	I113275
A2305465	Certificate of Analysis	Oct 16, 2024	I113275
A2305431	Certificate of Analysis	Oct 16, 2024	I113275

Chemical and Physical Properties

Molecular Weight	343.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	343.145 Da
Monoisotopic Mass	343.145 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	363.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	2

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