| Sonrisas canónicas | 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 |
| Isómeros SMILES | C(C(C(=O)[O-])O)(C(=O)O)O.O.[Na+] |
| PubChem CID | 23678966 |
| Peso molecular | 190.08 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | 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 |
| Descripción | 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 |
| Solubilidad | H2O: 0.1M at20°C, clear, colorless |
|---|---|
| Sensibilidad | Moisture sensitive |
| Peso molecular | 190.080 g/mol |
| XLogP3 | |
| 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 |
| 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] |
