D-Malic acid

C₄H₆O₅CAS 636-61-3134.09 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₄H₆O₅
Molar mass: 134.09 g/mol
Exact mass: 134.0215 Da
Melting point: 98–100 °C
logP: -1.09Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation93.9% of notifiers
H318 Causes serious eye damage91.8% of notifiers
H335 May cause respiratory irritation92.9% of notifiers

Aggregated from 98 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

636-61-3

SMILES

O=C(O)C[C@@H](O)C(=O)O

InChIKey

BJEPYKJPYRNKOW-UWTATZPHSA-N

InChI

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

Butanedioic acid, 2-hydroxy-, (2R)-
Malic acid, D-
Butanedioic acid, hydroxy-, (R)-
Butanedioic acid, hydroxy-, (2R)-
(2R)-2-Hydroxybutanedioic acid
(+)-Malic acid
D-(+)-Malic acid
(R)-(+)-Malic acid
(R)-Malic acid
(2R)-Malic acid
D-(+)-2-Hydroxysuccinic acid
(R)-2-Hydroxysuccinic acid
(2R)-2-Hydroxysuccinic acid
(R)-2-Hydroxysuccinate

Work with D-Malic acid

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.

L-Malic acid97-67-6Enantiomer Malic acid6915-15-7Stereo not defined Malic acid617-48-1Stereo not defined Sodium malate676-46-0Salt, stereo not defined Magnesium malate869-06-7Salt, stereo not defined Pizotifen malate5189-11-7Salt, stereo not defined Almotriptan malate181183-52-8Salt, stereo not defined L-Hydroxysuccinic acid disodium salt138-09-0Salt, enantiomer Sodium malate22798-10-3Salt, stereo not defined Clebopride hydrogen malate57645-91-7Salt, stereo not defined Cabozantinib S-malate1140909-48-3Salt, enantiomer Calcium malate17482-42-7Salt, stereo not defined

Similar compounds

1,2,3,4-Butanetetracarboxylic acid1703-58-860 % similar Propane-1,2,3-tricarboxylic acid99-14-960 % similar Thiodisuccinic acid4917-76-459 % similar D-Aspartic acid1783-96-654 % similar (S)-(-)-Methylsuccinic acid2174-58-554 % similar Polyaspartic acid25608-40-654 % similar (+)-Methylsuccinic acid3641-51-854 % similar (R)-2-Chlorosuccinic acid3972-40-554 % similar

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

Same formula

Diglycolic acid110-99-6 Dimethyl dicarbonate4525-33-1

Elsewhere

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