L-Aspartic acid β-methyl ester hydrochloride - ≥97% , CAS No.16856-13-6

CAS: 16856-13-6 Cat. No.: L591069 Formula: C₅H₉NO₄·HCl Peso molecolare: 183.59 Beilstein Registry Number: 4(4)3001 Numero EC: 240-880-5

GRADE & PURITY ≥97%

Synonyms

H-Asp(OMe)-OH | Glutamate Glycine dipeptide | HY-Y1801 | J-300066 | L-Aspartic acid beta-methyl ester, HCl | AC-9150 | H-Asp(OMe)-OH HCl | SCHEMBL37048 | ASPARTIC ACID(OME)-OH HCL | L-Aspartic Acid 4-Methyl Ester Hydrochloride | MFCD00038972 | (S)-2-Amino

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

H-Asp(OMe)-OH | Glutamate Glycine dipeptide | HY-Y1801 | J-300066 | L-Aspartic acid beta-methyl ester, HCl | AC-9150 | H-Asp(OMe)-OH HCl | SCHEMBL37048 | ASPARTIC ACID(OME)-OH HCL | L-Aspartic Acid 4-Methyl Ester Hydrochloride | MFCD00038972 | (S)-2-Amino

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528765169

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765169

Sorrisi canonici

COC(=O)CC(C(=O)O)N.Cl

IUPAC Name

(2S)-2-amino-4-methoxy-4-oxobutanoic acid;hydrochloride

InChIKey

QRBMPUYOGOCYDJ-DFWYDOINSA-N

INCHI

1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1

Isomeri SMILES

COC(=O)C[C@@H](C(=O)O)N.Cl

WGK Germania

3

Peso molecolare

183.59

Beilstein

4(4)3001

Reaxy-Rn

4715992

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4715992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: L-alpha-amino acids Fatty acid methyl esters Dicarboxylic acids and derivatives Quaternary ammonium salts Methyl esters Amino acids Carboxylic acids Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Quaternary ammonium salt - Methyl ester - Amino acid - Carboxylic acid ester - Carboxylic acid - Organic oxide - Organic nitrogen compound - Organic chloride salt - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic zwitterion - Organic salt - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Sensitivity to heat
• Rotazione specifica [α]: 11 ° (C=1, H2O)
• Punto di fusione (°C): 191-193°C
• Peso molecolare: 183.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 183.03 Da
• Monoisotopic Mass: 183.03 Da
• Topological Polar Surface Area: 89.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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