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Acesulfame Aspartame Salt , CAS No.106372-55-8

COA

Cas Number: 106372-55-8
Molecular Weight: 457.45
PubChem CID: 25130065

In stock

Item Number

A353908

Grouped product items
SKU	Size	Availability	Price	Qty
A353908-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$813.90

Basic Description

Synonyms	APM-ACE \| E-962 \| ASPARTAME ACESULFAME (200 MG) \| CAS-68291-97-4 \| SALT OF ASPARTAME-ACESULFAME \| INS-962 \| 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (S)-3-amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoate \| L-Phenylalanine, L-
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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Not available
Direct Parent	Peptides
Alternative Parents	Phenylalanine and derivatives Aspartic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Amphetamines and derivatives Fatty acid esters Dicarboxylic acids and derivatives N-acyl amines Methyl esters Organic sulfuric acids and derivatives Amino acids Primary carboxylic acid amides Carboxylic acid salts Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic zwitterions
Molecular Framework	Not available
Substituents	Alpha peptide - Phenylalanine or derivatives - Aspartic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Organic sulfuric acid or derivatives - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
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	(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;6-methyl-2,2-dioxooxathiazin-4-one
INCHI	InChI=1S/C14H18N2O5.C4H5NO4S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;1-3-2-4(6)5-10(7,8)9-3/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);2H,1H3,(H,5,6)/t10-,11-;/m0./s1
InChIKey	KVHQNWGLVVERFR-ACMTZBLWSA-N
Smiles	CC1=CC(=O)NS(=O)(=O)O1.COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
Isomeric SMILES	CC1=CC(=O)NS(=O)(=O)O1.COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
PubChem CID	25130065
Molecular Weight	457.45

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	457.500 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	457.116 Da
Monoisotopic Mass	457.116 Da
Topological Polar Surface Area	200.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	662.000
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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