| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-05-19 01:43:29 UTC |
|---|
| Update Date | 2016-11-09 01:09:20 UTC |
|---|
| Accession Number | CHEM004392 |
|---|
| Identification |
|---|
| Common Name | Thallous malonate |
|---|
| Class | Small Molecule |
|---|
| Description | |
|---|
| Contaminant Sources | |
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Dithallium malonic acid | Generator | | Malonic acid, dithallium salt | MeSH | | Malonic acid, monosodium salt | MeSH | | Malonate | MeSH | | Malonic acid, sodium salt | MeSH | | Malonic acid, disodium salt | MeSH | | Malonic acid | MeSH | | Malonic acid, 2-(14)C-labeled | MeSH | | Malonic acid, disodium salt, 1-(14)C-labeled | MeSH | | Malonic acid, diammonium salt | MeSH | | Malonic acid, 1,3-(14)C2-labeled | MeSH | | Malonic acid, monocalcium salt | MeSH | | Thallium malonate | MeSH | | Thallous malonate | MeSH | | Malonic acid, potassium salt | MeSH | | Monosodium malonate | MeSH | | Malonic acid, dipotassium salt | MeSH | | Bis(λ¹-thallanylium) propanedioic acid | Generator |
|
|---|
| Chemical Formula | C3H2O4Tl2 |
|---|
| Average Molecular Mass | 510.810 g/mol |
|---|
| Monoisotopic Mass | 511.944 g/mol |
|---|
| CAS Registry Number | 2757-18-8 |
|---|
| IUPAC Name | bis(λ¹-thallanylium) propanedioate |
|---|
| Traditional Name | bis(λ¹-thallanylium) malonate |
|---|
| SMILES | [Tl+].[Tl+].[O-]C(=O)CC([O-])=O |
|---|
| InChI Identifier | InChI=1S/C3H4O4.2Tl/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2 |
|---|
| InChI Key | UFVDXEXHBVQKGB-UHFFFAOYSA-L |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Dicarboxylic acids and derivatives |
|---|
| Direct Parent | Dicarboxylic acids and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - 1,3-dicarbonyl compound
- Dicarboxylic acid or derivatives
- Carboxylic acid salt
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Not Available |
|---|
| Cellular Locations | Not Available |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Appearance | Not Available |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0000090000-f34bf8e29a1528291ff5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0000090000-f34bf8e29a1528291ff5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0000090000-f34bf8e29a1528291ff5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0000090000-ccffefdf1016a8c718c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0000090000-ccffefdf1016a8c718c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0000090000-ccffefdf1016a8c718c1 | Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| FooDB ID | Not Available |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| Chemspider ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | 17687 |
|---|
| Kegg Compound ID | Not Available |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
