Basic Description

Synonyms	Boc-(2S,3S)-2-amino-3-methylpentanoic acid hemihydrate
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice 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	Methyl-branched fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Isoleucine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic 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	504770526
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770526
IUPAC Name	(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
INCHI	InChI=1S/2C11H21NO4.H2O/c21-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h27-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1
InChIKey	NYGJSARLXBZKTA-AQHOMMPKSA-N
Smiles	CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.O
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.O
PubChem CID	45072434
Molecular Weight	240.07 (231.06anhy)

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.

3 results found

Lot Number	Certificate Type	Date	Item
C2210551	Certificate of Analysis	Dec 18, 2024	B357021
C2210479	Certificate of Analysis	Dec 18, 2024	B357021
C2210484	Certificate of Analysis	Dec 18, 2024	B357021

Chemical and Physical Properties

Melt Point(°C)	67-70°C
Molecular Weight	480.600 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	480.305 Da
Monoisotopic Mass	480.305 Da
Topological Polar Surface Area	152.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	257.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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	3

Documents & Articles

Solid-Phase Peptide Synthesis (SPPS) — Efficient Strategies and Innovative Techniques

Categories: Technical articles

Tags:

Chemical synthesis Amino acids Protein Biology Acids Solvents Carbohydrates Peptides Peptide synthesis reagents Organic blocks SPPS Peptide synthesis Protection groups

Solution Calculators

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SKU	Size	Availability	Price
B357021-5g	5g	3	$9.90
B357021-25g	25g	2	$19.90
B357021-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$65.90

Boc-L-isoleucine hemihydrate - ≥98.0%, high purity , CAS No.204138-23-8