L-Aspartic acid-¹³C₄ - ≥97 atom% 13C,≥95% , CAS No.55443-54-4

CAS: 55443-54-4 Cat. No.: L471814 Formula: ¹³C₄H₇NO₄ Peso molecolare: 137.07 Numero EC: 693-739-9

GRADE & PURITY ≥97 atom% 13C,≥95%

Synonyms

(S)-Aminobutanedioic acid-¹³C4 | (S)-(+)-Aminosuccinic acid-¹³C4

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Description

L-Aspartic acid-13C4is an isotope-labeled analog of aspartic acid, wherein carbon atoms are replaced by13C.

Specifications

Sinonimi

(S)-Aminobutanedioic acid-¹³C4 | (S)-(+)-Aminosuccinic acid-¹³C4

Specifiche e purezza

≥97 atom% 13C,≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥97 atom% 13C,≥95%

Nomi e identificatori

Pubchem Sid

528765168

Sorrisi canonici

C(C(C(=O)O)N)C(=O)O

IUPAC Name

(2S)-2-aminobutanedioic acid

InChIKey

CKLJMWTZIZZHCS-REOHCLBHSA-N

INCHI

1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

Isomeri SMILES

C([C@@H](C(=O)O)N)C(=O)O

RTECS

CI9098500

CAS alternativo

56-84-8 (Unlabeled)；34345-47-6,6899-03-2,25608-40-6,56-84-8,617-45-8,5598-53-8 (di-hydrochloride salt)

Termini MeSH

(+-)-Aspartic Acid;(R,S)-Aspartic Acid;Ammonium Aspartate;Aspartate;Aspartate Magnesium Hydrochloride;Aspartate, Ammonium;Aspartate, Calcium;Aspartate, Dipotassium;Aspartate, Disodium;Aspartate, Magnesium;Aspartate, Monopotassium;Aspartate, Monosodium;Asp

Peso molecolare

137.07

Reaxy-Rn

774618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774618&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 acids and conjugates Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Amino acid - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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: Common amino acids - Amino acids

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive
• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Punto di fusione (°C): >300℃ (dec.) (lit.)
• Peso molecolare: 133.100 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 133.038 Da
• Monoisotopic Mass: 133.038 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• 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: 1