1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate

C6H10O6CAS 608-68-4178.14 g/mol

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OOOHOHOO
AlcoholEster

Properties

Molecular formula
C6H10O6
Molar mass
178.14 g/mol
Exact mass
178.0477 Da
Density
1.2306 g/mL (at 27 °C)
Melting point
58 °C (decomposes)
Boiling point
137 °C (at 16 Torr)
logP
-1.95Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
608-68-4
SMILES
COC(=O)[C@H](O)[C@@H](O)C(=O)OC
InChIKey
PVRATXCXJDHJJN-QWWZWVQMSA-N
InChI
InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dimethyl ester
  • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester
  • Tartaric acid, dimethyl ester, (+)-
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester
  • Dimethyl d-tartrate
  • Dimethyl tartrate
  • Dimethyl (+)-tartrate
  • Dimethyl L-tartrate
  • (2R,3R)-(+)-Dimethyl tartrate
  • Dimethyl (+)-L-tartrate
  • (2R,3R)-Dimethyl tartrate
  • L-Tartaric acid dimethyl ester
  • (+)-Tartaric acid dimethyl ester
  • L-(+)-Dimethyl tartrate
  • Dimethyl L-(+)-tartrate
  • Dimethyl (R,R)-tartrate
  • Dimethyl L-tartarate
  • NSC 517
  • (+)-Dimethyl L-tartarate
  • (+)-Dimethyl L-tartrate

Work with 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate

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.

Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-7Enantiomer Dimethyl 2,3-dihydroxybutanedioate5057-96-5Stereo not defined

Similar compounds

(+)-Methyl lactate17392-83-558 % similar (-)-Methyl lactate27871-49-458 % similar Methyl lactate547-64-858 % similar Methyl 2-hydroxy-2-methoxyacetate19757-97-256 % similar Methyl isobutyrate547-63-752 % similar Dimethyl methylmalonate609-02-952 % similar Diisopropyl tartrate2217-15-452 % similar Diisopropyl (-)-tartrate62961-64-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Gulono-1,4-lactone1128-23-0 Diethyl peroxydicarbonate14666-78-5 L-Mannono-1,4-lactone22430-23-5 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-7 D-Galactono-1,4-lactone2782-07-2 Polyethylene glycol bis(carboxymethyl) ether39927-08-7

Elsewhere

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