Boc-Gln-OH - ≥98% , CAS No.13726-85-7

CAS: 13726-85-7 Cat. No.: B100799 Molecular Weight: 246.26 Beilstein Registry Number: 2127805 EC Number: 237-296-8

GRADE & PURITY ≥98%

Synonyms

AKOS005175165 | N-BOC-glutamin | N(alpha)-tert-Butoxycarbonyl-L-glutamine | AC-17131 | N-t-Butyloxycarbonylglutamine | N~2~-(tert-butoxycarbonyl)-L-glutamine | B1649 | N-(t-butoxycarbonyl)-L-glutamine | N-tert-butoxycarbonyl-L-glutamine | Boc-Gln-OH, 98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS005175165 | N-BOC-glutamin | N(alpha)-tert-Butoxycarbonyl-L-glutamine | AC-17131 | N-t-Butyloxycarbonylglutamine | N~2~-(tert-butoxycarbonyl)-L-glutamine | B1649 | N-(t-butoxycarbonyl)-L-glutamine | N-tert-butoxycarbonyl-L-glutamine | Boc-Gln-OH, 98%

Specifications & Purity

≥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%

Names and Identifiers

• Pubchem Sid: 504755698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755698
• Canonical Smiles: CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(O)=O
• IUPAC Name: (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
• InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
• INCHI: 1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O
• WGK Germany: 3
• Molecular Weight: 246.26
• Beilstein: 2127805
• Reaxy-Rn: 2127805
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2127805&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 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: Branched fatty acids Fatty amides Carbamate esters Primary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamine or derivatives - Branched fatty acid - Fatty amide - Fatty acid - Fatty acyl - Carbamic acid ester - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic acyclic 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: Soluble in DMSO and methanol. Soluble in 1?mmole in 2 ml DMF.
• Specific Rotation[α]: -4 ° (C=2, EtOH)
• Melt Point(°C): 113-115°C
• Molecular Weight: 246.260 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 246.122 Da
• Monoisotopic Mass: 246.122 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 308.000
• 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

References

1. Shuailing Huang, Yinglong Wu, Fang Zeng, Junjie Chen, Shuizhu Wu.  (2018)  A turn-on fluorescence probe based on aggregation-induced emission for leucine aminopeptidase in living cells and tumor tissue.  ANALYTICA CHIMICA ACTA,      [PMID:30119736] [10.1016/j.aca.2018.05.032]