N'-Trityl-L-glutamine - ≥98% , CAS No.102747-84-2

CAS: 102747-84-2 Cat. No.: T116978 Molecular Weight: 388.5 EC Number: 600-344-7 PubChem CID: 7408404

GRADE & PURITY ≥98%

Synonyms

A-Trityl-L-glutamine | MFCD00237060 | H-Gln(Trt)-OH | N'-Trityl-L-glutamine | H-Gln(Trt)-OH.H2O | AM81780 | M03098 | (S)-2-Amino-5-oxo-5-(tritylamino)pentanoic acid | N-gamma-Trityl-L-glutamine | (2S)-2-azaniumyl-5-oxo-5-(tritylamino)pentanoate | N5-Trity

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A-Trityl-L-glutamine | MFCD00237060 | H-Gln(Trt)-OH | N'-Trityl-L-glutamine | H-Gln(Trt)-OH.H2O | AM81780 | M03098 | (S)-2-Amino-5-oxo-5-(tritylamino)pentanoic acid | N-gamma-Trityl-L-glutamine | (2S)-2-azaniumyl-5-oxo-5-(tritylamino)pentanoate | N5-Trity

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196243
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
• InChIKey: XIFFJPJZPDCOJH-NRFANRHFSA-N
• INCHI: 1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)O)N
• PubChem CID: 7408404
• Molecular Weight: 388.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Glutamine and derivatives L-alpha-amino acids N-acyl amines Benzene and substituted derivatives Quaternary ammonium salts Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Glutamine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - N-acyl-amine - Quaternary ammonium salt - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic zwitterion - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Molecular Weight: 388.500 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 388.179 Da
• Monoisotopic Mass: 388.179 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 487.000
• 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