D-(+)-Malic acid dimethyl ester
Properties
- Molecular formula
- C6H10O5
- Molar mass
- 162.14 g/mol
- Exact mass
- 162.0528 Da
- logP
- -0.92Crippen estimate
- Polar surface area
- 72.8 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
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
70681-41-3SMILES
COC(=O)C[C@H](C(=O)OC)OInChIKey
YSEKNCXYRGKTBJ-SCSAIBSYSA-NInChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1,4-Dimethyl (2R)-2-hydroxybutanedioate
Work with D-(+)-Malic acid dimethyl ester
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.
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.