Sodium bitartrate monohydrate - ≥99% , CAS No.6131-98-2

CAS: 6131-98-2 Cat. No.: S1525711 分子式: C₄H₅NaO₆.H₂O 分子量: 190.08 EC番号: 208-400-9 PubChem CID: 23678966

GRADE & PURITY ≥99%

Storage

Room temperature

概要

L-Tartaric acid (L-(+)-Tartaric acid) sodium hydrate is the enantiomer of D-tartaric acid. L-Tartaric acid is a white crystalline dicarboxylic acid found in many plants, such as grapes, and is one of the main organic acids in wine. L-Tartaric acid sodium hydrate which acts as a flour bulking agent and as a food additive can interact with sodium bicarbonate to produce carbon dioxide.

Specifications

仕様と純度

≥99%

保管条件

Room temperature

純度

≥99%

名前と識別子

• カノニカル・スマイル: C(C(C(=O)[O-])O)(C(=O)O)O.O.[Na+]
• IUPAC Name: sodium;2,3,4-trihydroxy-4-oxobutanoate;hydrate
• InChIKey: LLVQEXSQFBTIRD-UHFFFAOYSA-M
• INCHI: 1S/C4H6O6.Na.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-1
• 異性体SMILES: C(C(C(=O)[O-])O)(C(=O)O)O.O.[Na+]
• PubChem CID: 23678966
• 分子量: 190.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Alcohol - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

• 溶解度: H2O: 0.1M at20°C, clear, colorless
• 感度: Moisture sensitive
• 分子量: 190.080 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 190.009 Da
• Monoisotopic Mass: 190.009 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

参考文献

1. Ma Liang, Zhu Yindi, Chen Xueming, Fang Raohao, Chen Yuru, Xu Xia, Huang Guozheng, Liu Zi, Liu Xiang.  (2021)  A novel nickel-modified nano-magnetite for isolation of histidine-tagged proteins expressed in Escherichia coli.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  413  (27): (6813-6821).  [PMID:34491395] [10.1007/s00216-021-03637-5]

2. Fengfeng Dong, Qishen Huang, Shufeng Pang, Yun-Hong Zhang.  (2024)  Hydrogel network formation triggers atypical hygroscopic behavior in atmospheric aerosols.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:39488286] [10.1016/j.scitotenv.2024.177298]