Ac-D-Glu-OH - ≥98% , CAS No.19146-55-5

CAS: 19146-55-5 Cat. No.: A117198 분자식: C₇H₁₁NO₅ 분자량: 189.16 EC 번호: 884-467-3

등급 & 순도 ≥98%

Synonyms

AC-D-GLU-OH | BB76A796-76E5-4E5D-89F8-C7474070D238 | (2R)-2-acetamidopentanedioic acid | DTXSID70364404 | N-acetyl-d-glu | DS-1278 | Glutamic acid, N-acetyl- | J-012375 | HY-W015241 | N-ACETYL-D-GLUTAMIC ACID | AKOS006275139 | (R)-2-Acetamidopentanedioic

Storage

2-8°C에서 보관

Shipped In

젖은 얼음

개요

N-아세틸-D-글루탐산은 항경련제 활성을 나타내는 글루타리미드입니다.

사양

동의어

AC-D-GLU-OH | BB76A796-76E5-4E5D-89F8-C7474070D238 | (2R)-2-acetamidopentanedioic acid | DTXSID70364404 | N-acetyl-d-glu | DS-1278 | Glutamic acid, N-acetyl- | J-012375 | HY-W015241 | N-ACETYL-D-GLUTAMIC ACID | AKOS006275139 | (R)-2-Acetamidopentanedioic

사양 및 순도

≥98%

보관 조건

2-8°C에서 보관

배송

젖은 얼음

순수함

≥98%

이름과 식별자

Pubchem Sid

504760607

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760607

정식 스마일

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

IUPAC Name

(2R)-2-acetamidopentanedioic acid

InChIKey

RFMMMVDNIPUKGG-RXMQYKEDSA-N

INCHI

1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1

이성체 SMILES

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

분자량

189.16

Reaxy-Rn

1727472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727472&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 Glutamic acid and derivatives

• 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
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: N-acyl-alpha amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty acid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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

화학 및 물리적 특성

• 분자량: 189.170 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 189.064 Da
• Monoisotopic Mass: 189.064 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 225.000
• 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