3,6-Dioxaoctanedioic acid - ≥95% , CAS No.23243-68-7

CAS: 23243-68-7 Cat. No.: D183030 分子式: C₆H₁₀O₆ 分子量: 178.14 EC番号: 245-516-9

GRADE & PURITY ≥95%

Synonyms

3,6-dioxaoctandioic acid | AKOS000120426 | BP-23966 | DS-12361 | Q27255869 | PEG-bis-CH2CO2H, MW 5,000 | 3,6-dioxa-1,8-octanedioic acid | 3,6-dioxaoctanedioicacid | ETHYLENE BIS(GLYCOLIC ACID) | AB01330339-02 | BP-20626 | 1,2-Bis(carboxymethoxy)ethane | 1

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

同義語

3,6-dioxaoctandioic acid | AKOS000120426 | BP-23966 | DS-12361 | Q27255869 | PEG-bis-CH2CO2H, MW 5,000 | 3,6-dioxa-1,8-octanedioic acid | 3,6-dioxaoctanedioicacid | ETHYLENE BIS(GLYCOLIC ACID) | AB01330339-02 | BP-20626 | 1,2-Bis(carboxymethoxy)ethane | 1

仕様と純度

≥95%

保管条件

Protected from light,Room temperature,Desiccated

入荷

Normal

純度

≥95%

名前と識別子

カノニカル・スマイル

C(COCC(=O)O)OCC(=O)O

IUPAC Name

2-[2-(carboxymethoxy)ethoxy]acetic acid

InChIKey

CQWXKASOCUAEOW-UHFFFAOYSA-N

INCHI

1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

異性体SMILES

C(COCC(=O)O)OCC(=O)O

分子量

178.14

Reaxy-Rn

1778375

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1778375&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• 分子量: 178.140 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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