(S)-tert-Butyl 5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate - ≥95% , CAS No.91229-86-6

CAS: 91229-86-6 Cat. No.: S590692 Peso molecular: 352.26 Número EC: 859-186-4 PubChem CID: 11142700

GRADE & PURITY ≥95%

Synonyms

(S)-tert-Butyl5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate | tert-butyl (S)-5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate | MFCD22576481 | DTXSID10456771 | DS-5608 | tert-butyl (2S)-5-bromo-2-{[(tert-butoxy)carbonyl]amino}pentanoate | tert-Butyl 5-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

(S)-tert-Butyl5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate | tert-butyl (S)-5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate | MFCD22576481 | DTXSID10456771 | DS-5608 | tert-butyl (2S)-5-bromo-2-{[(tert-butoxy)carbonyl]amino}pentanoate | tert-Butyl 5-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)C(CCCBr)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl (2S)-5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
• InChIKey: UOJPSBYBSNFVHA-JTQLQIEISA-N
• INCHI: 1S/C14H26BrNO4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)[C@H](CCCBr)NC(=O)OC(C)(C)C
• PubChem CID: 11142700
• Peso molecular: 352.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 acid esters
• Alternative Parents: Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkyl bromide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propiedades químicas y físicas

• Peso molecular: 352.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 351.105 Da
• Monoisotopic Mass: 351.105 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 331.000
• 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