Basic information
- Standard SMILES
CCOC(=O)C(O)C(O)C(=O)OCC- InChIKey
YSAVZVORKRDODB-UHFFFAOYSA-N- Molecular formula
- C8H14O6
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.07903817
Overview
Diethyl tartrate is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-
- IUPAC
- diethyl 2,3-dihydroxybutanedioate
Names & synonyms
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-Butanedioic acid, 2,3-dihydroxy-, diethyl ester, (S-(R*,R*))-RefChem:570864Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-408332-88-7L(+)-Diethyl L-tartrateDiethyl 2,3-dihydroxybutanedioate(-)-Diethyl D-tartrate1,4-diethyl 2,3-dihydroxybutanedioateEthyl (+)-tartrateEthyl tartarateC8H14O6
Show more names
diethyl tartarate57968-71-5Diethyl (2R,3R)-tartrateDiethyl (R,R)(+)tartrateL-(+)-(Diethyl tartrate)(+)-diethyl tartrate(+)-Tartaric acid diethyl ester[-]-Tartaric acid diethyl ester
Database identifiers
- CAS
13811-71-7、408332-88-7、57968-71-5、87-91-2- PubChem CID
- 62333
- DTXSID
DTXSID70859148- ChEBI
CHEBI:169338- Nikkaji
- J1.739.735D、J267.495E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP-0.29
Boiling Point280.00 to 281.00 °C. @ 760.00 mm Hg
Melting Point17 °C
Physical DescriptionLiquid
Safety & regulation
Hazard information
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
47 records
Linked notes
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