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Acetyl-O-acetyl-L-threonine - 95%, high purity , CAS No.137197-06-9

COA

Grade & Purity:

≥95%

Cas Number: 137197-06-9
Molecular Weight: 203.19
PubChem CID: 7021792
PubChem SID: 488196159

In stock

Item Number

A354231

Grouped product items
SKU	Size	Availability	Price
A354231-50mg	50mg	1	$82.90
A354231-250mg	250mg	3	$274.90
A354231-1g	1g	2	$802.90
A354231-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,210.90

Basic Description

Synonyms	Acetyl-O-acetyl-L-threonine \| N,O-diacetyl-l-threonine \| DTXSID40427398 \| SCHEMBL8847352 \| (2S,3R)-2-acetamido-3-acetyloxybutanoic acid \| Ac-Thr(Ac)-OH \| AKOS025294429
Specifications & Purity	≥95%
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 N-acyl-alpha amino acids and derivatives
        Level8 N-acyl-alpha amino acids
        Level9 N-acyl-L-alpha-amino acids

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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent	N-acyl-L-alpha-amino acids
Alternative Parents	Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	N-acyl-l-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
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	488196159
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196159
IUPAC Name	(2S,3R)-2-acetamido-3-acetyloxybutanoic acid
INCHI	InChI=1S/C8H13NO5/c1-4(14-6(3)11)7(8(12)13)9-5(2)10/h4,7H,1-3H3,(H,9,10)(H,12,13)/t4-,7+/m1/s1
InChIKey	FHYSLJXFHVWFLV-FBCQKBJTSA-N
Smiles	CC(C(C(=O)O)NC(=O)C)OC(=O)C
Isomeric SMILES	C[C@H]([C@@H](C(=O)O)NC(=O)C)OC(=O)C
Molecular Weight	203.19
Reaxy-Rn	57172264
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57172264&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
A2218215	Certificate of Analysis	Nov 20, 2024	A354231
A2218203	Certificate of Analysis	Nov 20, 2024	A354231
A2218208	Certificate of Analysis	Nov 20, 2024	A354231
A2218202	Certificate of Analysis	Nov 20, 2024	A354231
C2308717	Certificate of Analysis	Dec 25, 2021	A354231

Chemical and Physical Properties

Molecular Weight	203.190 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	203.079 Da
Monoisotopic Mass	203.079 Da
Topological Polar Surface Area	92.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250.000
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	1

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