Diethyl 2,3-dihydroxysuccinate Details
: IUPAC Name
Diethyltartrate
:Chemical Class
:CAS Registry Number
13811-71-7
:Description
:Fragrance Type
winey
Physical and Chemical properties
| PUBCHEM ID | 62333 |
| Molecular Weight (mg/mol) | 206.2 |
| Molecular Formula | C8H14O6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| IUPAC Name | Diethyltartrate |
| Canonical SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| PUBCHEM IUPAC INCHIKEY | YSAVZVORKRDODB-WDSKDSINSA-N |
| Solubility Level | 5 |
| Vapour Pressure | -4.631 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 24.06 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -0.515 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Single-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 5.05877 |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | None |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 13811-71-7 | |||||
| 2 | 13811-71-7 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 13811-71-7 | Diethyl 2,3-dihydroxysuccinate |
Compound Image
2D Structure
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