L-Aspartic acid-d3 - ≥99% , CAS No.3842-25-9

CAS: 3842-25-9 Cat. No.: L651131 Formula: C₄H₄D₃NO₄ Peso molecolare: 136.12

GRADE & PURITY ≥99%

Synonyms

L-Aspartic acid-2,3,3-d3, >=98 atom % D, >=98% (CP) | D98358 | L-Aspartic Acid-d3 | (2S)-2-amino(?H?)butanedioic acid | MS-22797 | HY-N0666S8 | S)-2-Aminobutanedioic Acid-d3 | (S)-Aminobutanedioic Acid-d3 | (2S)-2-amino-2,3,3-trideuteriobutanedioic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

L-Aspartic acid-d 3 is the deuterium labeled L-Aspartic acid. L-Aspartic acid is is an amino acid, shown to be a suitable proagent for colon-specific agent deliverly.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinonimi

L-Aspartic acid-2,3,3-d3, >=98 atom % D, >=98% (CP) | D98358 | L-Aspartic Acid-d3 | (2S)-2-amino(?H?)butanedioic acid | MS-22797 | HY-N0666S8 | S)-2-Aminobutanedioic Acid-d3 | (S)-Aminobutanedioic Acid-d3 | (2S)-2-amino-2,3,3-trideuteriobutanedioic acid |

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

L-Aspartic acid-d 3 is the deuterium labeled L-Aspartic acid. L-Aspartic acid is is an amino acid, shown to be a suitable proagent for colon-specific agent deliverly.

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

≥99%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

(2S)-2-amino-2,3,3-trideuteriobutanedioic acid

InChIKey

CKLJMWTZIZZHCS-RBXBQAPRSA-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/i1D2,2D

Isomeri SMILES

[2H][C@@](C(=O)O)(C([2H])([2H])C(=O)O)N

Peso molecolare

136.12

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: 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

• Solubilità: H2O : ≥ 9.26 mg/mL (68.03 mM)
• Peso molecolare: 136.120 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 136.056 Da
• Monoisotopic Mass: 136.056 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 3
• 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