1,2-エタンジスルホン酸水和物 - ≥95%(T) , CAS No.110-04-3

CAS: 110-04-3 Cat. No.: E156417 分子式: C₂H₆O₆S₂•XH₂O 分子量: 190.20 Beilstein Registry Number: 4(4)78 EC番号: 203-732-0

グレード＆純度 ≥95%(T)

Synonyms

1,2-Ethanedisulphonic acid|1,2-ETHANEDISULFONIC ACID [MI]|ethane-1,2-disulfonic acid|1,2-ethane disulfonic acid|1,2-ETHANEDISULFONIC ACID|(S)-5,5,5-Trifluoronorvaline|1,2 ethanedisulfonic acid|ethane disulfonic acid|Allergosil|ethylenedisulfonic acid|1,2-ETHANEDISULFONIC ACID, FREE ACID|1,2-Ethylenedisulfonic acid; Allergosil; Ethane-alpha,beta-disulfonic acid; Ethanedisulfonic acid|5,5,5-Trifluoro-L-norvaline|ethandisulfonic acid

Storage

Argon charged,Room temperature

Shipped In

ノーマル

概要

製品用途

エディシル酸塩の調製に使用される。また、モルモットを用いた細胞代謝やアレルギーを評価する生物学的研究にも使用される。

仕様

同義語

1,2-Ethanedisulphonic acid | 1,2-ETHANEDISULFONIC ACID [MI] | ethane-1,2-disulfonic acid | 1,2-ethane disulfonic acid | 1,2-ETHANEDISULFONIC ACID | (S)-5,5,5-Trifluoronorvaline | 1,2 ethanedisulfonic acid | ethane disulfonic acid | Allergosil | ethylenedisulfonic acid | 1,2-ETHANEDISULFONIC ACID, FREE ACID | 1,2-Ethylenedisulfonic acid; A もっと見る

仕様と純度

≥95%(T)

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥95%(T)

名前と識別子

パブケム・シド

508806952

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508806952

カノニカル・スマイル

C(CS(=O)(=O)O)S(=O)(=O)O

IUPAC Name

ethane-1,2-disulfonic acid

InChIKey

AFAXGSQYZLGZPG-UHFFFAOYSA-N

INCHI

1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)

異性体SMILES

C(CS(=O)(=O)O)S(=O)(=O)O

代替CAS番号

5982-56-9

分子量

190.20

Beilstein

4(4)78

Reaxy-Rn

1781377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: soluble in water, ethanol, ether, and very soluble in dioxane.
• 感度: Air Sensitive,Hygroscopic
• 分子量: 190.200 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 189.961 Da
• Monoisotopic Mass: 189.961 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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