L-Tryptophan-d5 - ≥98 atom% D,≥98% , CAS No.62595-11-3

CAS: 62595-11-3 Cat. No.: L345143 Molecular Weight: 209.26 EC Number: 690-281-1

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

L-Tryptophan-2,4,5,6,7-d5 | L-Tryptophan-(indole-d5), 97 atom % D | SCHEMBL2530619 | L-Tryptophan-d5(indole-d5) | DTXSID50480575 | (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid | Trp-d5 | (2S)-2-amino-3-[(2,4,5,6,7-?H?)-1H-indol-3-y

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

L-Tryptophan-d5 is a labelled and deuterated isotope of the essential amino acid Tryptophan, intended for use as an internal standard in spectrometry.

Application：
L-Tryptophan-(indole-d5) is used
• in biophysical study for neutron scattering.
• as an internal standard for the investigation of anti-inflammatory activity of low molecular weight fractions.
• in structural elucidation of micronutrients and nutraceutical components presence in food stuffs using LC-MS/MS.

Specifications

Synonyms

L-Tryptophan-2, 4, 5, 6, 7-d5 | L-Tryptophan-(indole-d5), 97 atom % D | SCHEMBL2530619 | L-Tryptophan-d5(indole-d5) | DTXSID50480575 | (2S)-2-amino-3-(2, 4, 5, 6, 7-pentadeuterio-1H-indol-3-yl)propanoic acid | Trp-d5 | (2S)-2-amino-3-[(2, 4, 5, 6, 7-?H?)-1H-indol-3-y

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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=C2C(=C1)C(=CN2)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
• InChIKey: QIVBCDIJIAJPQS-HLTLGYGQSA-N
• INCHI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)O)N)[2H])[2H]
• WGK Germany: 2
• RTECS: YN6130000
• Molecular Weight: 209.26
• Reaxy-Rn: 86196
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=86196&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: L-alpha-amino acids 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• 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: Soluble in water (1.1%), and Aqueous Acid.
• Refractive Index: n20D1.70 (Predicted)
• Specific Rotation[α]: α20D-30.5, c = 1 in water
• Boil Point(°C): 447.91° C at 760 mmHg (Predicted)
• Melt Point(°C): 280-285° C (lit.)(dec.)
• Molecular Weight: 209.260 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.121 Da
• Monoisotopic Mass: 209.121 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• 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