D,L-Tryptophan-d3 - ≥98 atom% D,≥98% , CAS No.340257-61-6

CAS: 340257-61-6 Cat. No.: D357373 Formula: C₁₁H₉D₃N₂O₂ Molecular Weight: 207.24

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DL-TRYPTOPHAN-2,3,3-D3 | DTXSID60858549 | 2-amino-3-(1H-indol-3-yl)(?H?)propanoic acid | D99192 | (alpha,beta,beta-~2~H_3_)Tryptophan | 1H-Indole-3-alanine-d3 | HY-W012480S | dl-tryptophan-d3 | (+/-)-Tryptophan-d3 | D,L-Tryptophan-d3 | 2-amino-2,3,3-tride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

D,L-Tryptophan-d3 is a labelled, essential amino acid.

Specifications

Synonyms

DL-TRYPTOPHAN-2,3,3-D3 | DTXSID60858549 | 2-amino-3-(1H-indol-3-yl)(?H?)propanoic acid | D99192 | (alpha,beta,beta-~2~H_3_)Tryptophan | 1H-Indole-3-alanine-d3 | HY-W012480S | dl-tryptophan-d3 | (+/-)-Tryptophan-d3 | D,L-Tryptophan-d3 | 2-amino-2,3,3-tride

Specifications & Purity

≥98 atom% D,≥98%

Storage

Store at 2-8°C,Argon charged

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

Pubchem Sid

508810402

Canonical Smiles

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

IUPAC Name

2-amino-2,3,3-trideuterio-3-(1H-indol-3-yl)propanoic acid

InChIKey

QIVBCDIJIAJPQS-GAUJEYLJSA-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)/i5D2,9D

Isomeric SMILES

[2H]C([2H])(C1=CNC2=CC=CC=C21)C([2H])(C(=O)O)N

Alternate CAS

54-12-6（unlabelled）

Molecular Weight

207.24

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 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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: 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: Alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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: Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Melt Point(°C): 248-250° C (dec.)
• Molecular Weight: 207.240 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.109 Da
• Monoisotopic Mass: 207.109 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1