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H-Ile-OBzl tos - 95%, high purity , CAS No.16652-75-8

COA

Grade & Purity:

≥95%

Cas Number: 16652-75-8
Molecular Weight: 393.5
PubChem CID: 14074464
PubChem SID: 488198590

In stock

Item Number

H181950

Grouped product items
SKU	Size	Availability	Price
H181950-1g	1g	2	$9.90
H181950-5g	5g	2	$22.90
H181950-25g	25g	1	$72.90
H181950-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$239.90

Discover H-Ile-OBzl tos by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Benzyl L-isoleucinate 4-methylbenzenesulfonate \| L-Ile-OBzl.TosOH \| EINECS 240-701-0 \| AKOS015909594 \| AKOS015842533 \| H-Ile-OBzl.Tos-OH \| (2S,3S)-Benzyl2-amino-3-methylpentanoate4-methylbenzenesulfonate \| DTXSID50937211 \| SCHEMBL1287363 \| MFCD00050511 \|
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 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 Benzyloxycarbonyls 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Fatty acid esters Sulfonyls Quaternary ammonium salts Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic cations
Molecular Framework	Not available
Substituents	Isoleucine or derivatives - Alpha-amino acid ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organic cation - 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

Pubchem Sid	488198590
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198590
IUPAC Name	benzyl (2S,3S)-2-amino-3-methylpentanoate;4-methylbenzenesulfonic acid
INCHI	InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1
InChIKey	XAWVXTVKSVYPNE-JGAZGGJJSA-N
Smiles	CCC(C)C(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O
PubChem CID	14074464
Molecular Weight	393.5

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
K2123382	Certificate of Analysis	Sep 13, 2024	H181950
K2123415	Certificate of Analysis	Sep 13, 2024	H181950
K2123416	Certificate of Analysis	Sep 13, 2024	H181950
K2123520	Certificate of Analysis	Sep 13, 2024	H181950

Chemical and Physical Properties

Molecular Weight	393.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	393.161 Da
Monoisotopic Mass	393.161 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	418.000
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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