Dimethyl malate

C6H10O5CAS 38115-87-6162.14 g/mol

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AlcoholEster

Properties

Molecular formula
C6H10O5
Molar mass
162.14 g/mol
Exact mass
162.0528 Da
Boiling point
90 °C (at 8.5 Torr)
logP
-0.92Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
38115-87-6
SMILES
COC(=O)CC(O)C(=O)OC
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

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Names and synonyms

11 names
  • Butanedioic acid, 2-hydroxy-, 1,4-dimethyl ester
  • Malic acid, dimethyl ester
  • Butanedioic acid, hydroxy-, dimethyl ester
  • Dimethyl DL-malate
  • (RS)-Dimethyl malate
  • (±)-Dimethyl 2-hydroxybutanedioate
  • (±)-Dimethyl malate
  • NSC 165661
  • Dimethyl hydroxybutanedioate
  • Dimethyl 2-hydroxysuccinate
  • 1,4-Dimethyl 2-hydroxybutanedioate

Work with Dimethyl malate

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.

(S)-(-)-Dimethyl malate617-55-0Defined stereoisomer D-(+)-Malic acid dimethyl ester70681-41-3Defined stereoisomer

Similar compounds

1,5-Dimethyl 3-hydroxypentanedioate7250-55-759 % similar Dimethyl (R)-(+)-methylsuccinate22644-27-558 % similar (S)-(-)-Methylsuccinic acid dimethyl ester63163-08-658 % similar Methyl (-)-3-hydroxybutyrate3976-69-055 % similar Methyl (+)-3-hydroxybutanoate53562-86-055 % similar 1,4-Dimethyl 2-acetylbutanedioate10420-33-453 % similar Diethyl L-malate691-84-953 % similar Dimethyl aspartate hydrochloride32213-95-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl pyrocarbonate1609-47-8 2-C-Methyl-D-ribono-1,4-lactone492-30-8 Levoglucosan498-07-7 1,3-Dimethyl 2-methoxypropanedioate5018-30-4 3-Hydroxy-3-methylglutaric acid503-49-1 Conduritol B epoxide6090-95-5 1,3,5-Benzenetriol, hydrate (1:2)6099-90-7

Elsewhere

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