Diethyl L-malate

C8H14O5CAS 691-84-9190.19 g/mol

Open in Covalent MOL file
OOOOOH
AlcoholEster

Properties

Molecular formula
C8H14O5
Molar mass
190.19 g/mol
Exact mass
190.0841 Da
logP
-0.14Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

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
691-84-9
SMILES
CCOC(=O)C[C@@H](C(=O)OCC)O
InChIKey
VKNUORWMCINMRB-LURJTMIESA-N
InChI
InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1

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Work with Diethyl L-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

Similar compounds

Triethyl 1,1,2-ethanetricarboxylate7459-46-365 % similar Diethyl 3-hydroxyglutarate32328-03-361 % similar 1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate635-03-059 % similar Ethyl (3R)-3-hydroxybutanoate24915-95-558 % similar Ethyl 3-hydroxybutyrate35608-64-158 % similar Ethyl 3-hydroxybutyrate5405-41-458 % similar (+)-Ethyl 3-hydroxybutyrate56816-01-458 % similar Diethyl 2-acetylsuccinate1115-30-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-O-Isopropylidene-A-L-xylofuranose114861-22-2 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-4 Oxydiethylene acetate628-68-2

Elsewhere

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