chempirical

(-)-Diethyl tartrate

C8H14O6CAS 13811-71-7206.19 g/mol

Open in Covalent MOL file
OOOHOHOO
AlcoholEster

Properties

Molecular formula
C8H14O6
Molar mass
206.19 g/mol
Exact mass
206.0790 Da
Boiling point
126–127 °C (at 2 Torr)
logP
-1.17Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 48 ECHA notifiers. Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
13811-71-7
SMILES
CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
InChIKey
YSAVZVORKRDODB-WDSKDSINSA-N
InChI
InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • Butanedioic acid, 2,3-dihydroxy-, 1,4-diethyl ester, (2S,3S)-
  • Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-
  • Tartaric acid, diethyl ester, (-)-
  • D-Tartaric acid diethyl ester
  • Diethyl D-tartrate
  • Diethyl (2S,3S)-(-)-tartrate
  • Diethyl D-(-)-tartrate
  • Diethyl (S,S)-(-)-tartrate
  • D-(-)-Diethyl tartrate
  • (S,S)-Diethyl tartrate
  • Diethyl (-)-D-tartrate
  • (2S,3S)-Diethyl tartrate
  • D-Diethyl tartarate
  • D-Ethyl tartrate
  • (-)-Diethyl D-tartarate
  • D-(-)DET
  • D-(-)-Tartaric acid diethyl ester

Work with (-)-Diethyl tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diethyl tartrate87-91-2Enantiomer

Similar compounds

Ethyl lactate687-47-863 % similar Ethyl lactate97-64-363 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar Dibutyl tartrate87-92-359 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-158 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Diethyl methylmalonate609-08-558 % similar Ethyl isobutyrate97-62-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diisopropyl peroxydicarbonate105-64-6 4,6-O-Ethylidene-α-D-glucopyranose13224-99-2 Dipropyl peroxydicarbonate16066-38-9

Elsewhere

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