Cyclo(-Glu-Glu) - ≥96% , CAS No.16691-00-2

CAS: 16691-00-2 Cat. No.: C358061 Fórmula: C₁₀H₁₄N₂O₆ Peso molecular: 258.23

GRADE & PURITY ≥96%

Synonyms

3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid | DTXSID50428619 | MFCD00237611 | 2,5-Piperazinedipropanoic acid, 3,6-dioxo-, (2S,5S)- | CYCLO(-GLU-GLU) | AC1OLRH5 | HY-P4615 | J-010318 | 3,3'-((2S,5S)-3,6-Dioxopiperazine-2,5-diyl)dip

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid | DTXSID50428619 | MFCD00237611 | 2,5-Piperazinedipropanoic acid, 3,6-dioxo-, (2S,5S)- | CYCLO(-GLU-GLU) | AC1OLRH5 | HY-P4615 | J-010318 | 3,3'-((2S,5S)-3,6-Dioxopiperazine-2,5-diyl)dip

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504764761

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764761

Sorrisos canónicos

C(CC(=O)O)C1C(=O)NC(C(=O)N1)CCC(=O)O

IUPAC Name

3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid

InChIKey

NDCKGUDRHBPJAQ-WDSKDSINSA-N

INCHI

1S/C10H14N2O6/c13-7(14)3-1-5-9(17)12-6(10(18)11-5)2-4-8(15)16/h5-6H,1-4H2,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t5-,6-/m0/s1

SMILES isoméricas

C(CC(=O)O)[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)O

Peso molecular

258.23

Reaxy-Rn

279486

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=279486&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 2,5-dioxopiperazines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive；Moisture sensitive
• Índice de refração: n20D1.51 (Predicted)
• Ponto de ebulição (°C): 765.97° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 245.40° C (Predicted)
• Peso molecular: 258.230 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 258.085 Da
• Monoisotopic Mass: 258.085 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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