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

CAS: 16691-00-2 Cat. No.: C358061 分子式: C₁₀H₁₄N₂O₆ 分子量: 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

同義語

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

仕様と純度

≥96%

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

504764761

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 屈折率: n20D1.51 (Predicted)
• 沸点（°C）: 765.97° C at 760 mmHg (Predicted)
• 融点（°C）: 245.40° C (Predicted)
• 分子量: 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