Acesulfame Aspartame Salt - Total content ≥99% , CAS No.106372-55-8

CAS: 106372-55-8 Cat. No.: A353908 Peso molecular: 457.45 PubChem CID: 25130065

GRADE & PURITY Total content ≥99%

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-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Aspartame acesulfame can be used as a synthetic nonnutritive sweetener.

Specifications

Sinónimos

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-

Especificaciones y pureza

Total content ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)NS(=O)(=O)O1.COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
• 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
• InChIKey: KVHQNWGLVVERFR-ACMTZBLWSA-N
• 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
• Isómeros 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
• Peso molecular: 457.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Peso molecular: 457.500 g/mol
• 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 Ų
• 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

XLogP3