Ac-Ala-OH - 10mM in DMSO , CAS No.97-69-8

CAS: 97-69-8 Cat. No.: A427198 분자식: C₅H₉NO₃ 분자량: 131.13 EC 번호: 202-602-0

GRADE & PURITY 10mM in DMSO

Synonyms

N-ACETYLALANINE | s3094 | 4/'-Chloro-2,2/':6/',2/'/'-terpyridine | EINECS 202-602-0 | n-acetyl alanine | N-Acetyl-L-alanine | N-Acetylsuperoxide dismutase (human clone pS 61-10 copper-zinc subunit protein moiety reduced) | AKOS010366966 | DTXSID50861704 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

N-ACETYLALANINE | s3094 | 4/'-Chloro-2,2/':6/',2/'/'-terpyridine | EINECS 202-602-0 | n-acetyl alanine | N-Acetyl-L-alanine | N-Acetylsuperoxide dismutase (human clone pS 61-10 copper-zinc subunit protein moiety reduced) | AKOS010366966 | DTXSID50861704 |

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528765994

정식 스마일

CC(C(=O)O)NC(=O)C

IUPAC Name

(2S)-2-acetamidopropanoic acid

InChIKey

KTHDTJVBEPMMGL-VKHMYHEASA-N

INCHI

1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

이성체 SMILES

C[C@@H](C(=O)O)NC(=O)C

WGK 독일

3

분자량

131.13

Reaxy-Rn

774333

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Alanine and derivatives Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Alanine or derivatives - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: L-alanine derivative - N-acetyl-L-amino acid

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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 122-128°C
• 분자량: 131.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 132.000
• 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