Phenylacetyl-d5 L-Glutamine - ≥98 atom% D,≥98% , CAS No.1331909-01-3

CAS: 1331909-01-3 Cat. No.: P339370 Molecular Weight: 269.31 PubChem CID: 13728880

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

HY-W050026S | Phenylacetylglutamine-d5 | N-Phenyl-d5-acetylglutamine | (2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acid | DTXSID90547792 | PHENYLACETYL-L-GLUTAMINE-D5 | MS-23808 | F91234 | (2S)-4-carbamoyl-2-{2-[(2,3,4,5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

It is used as labelled biomarker for metabolic age.

Specifications

Synonyms

HY-W050026S | Phenylacetylglutamine-d5 | N-Phenyl-d5-acetylglutamine | (2S)-5-amino-5-oxo-2-[[2-(2, 3, 4, 5, 6-pentadeuteriophenyl)acetyl]amino]pentanoic acid | DTXSID90547792 | PHENYLACETYL-L-GLUTAMINE-D5 | MS-23808 | F91234 | (2S)-4-carbamoyl-2-{2-[(2, 3, 4, 5

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O
• IUPAC Name: (2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acid
• InChIKey: JFLIEFSWGNOPJJ-CJMNRESHSA-N
• INCHI: 1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1/i1D,2D,3D,4D,5D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[2H])[2H]
• PubChem CID: 13728880
• Molecular Weight: 269.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamine and derivatives
• Alternative Parents: N-acyl-L-glutamines Phenylacetamides Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-l-glutamine - Phenylacetamide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
• Melt Point(°C): 52-54° C
• Molecular Weight: 269.310 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 269.142 Da
• Monoisotopic Mass: 269.142 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 5
• 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