chempirical

Sodium malate

C4H4Na2O5CAS 676-46-0178.05 g/mol

Open in Covalent MOL file
O−OOHO−ONa+Na+
AlcoholCarboxylic acid

Properties

Molecular formula
C4H4Na2O5
Molar mass
178.05 g/mol
Exact mass
177.9854 Da
logP
-1.85Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
676-46-0
SMILES
[O-]C(=O)CC(O)C([O-])=O.[Na+].[Na+]
InChIKey
CBVOCNWSAAUNIY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;

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

Names and synonyms

7 names
  • Butanedioic acid, 2-hydroxy-, sodium salt (1:2)
  • Malic acid, disodium salt
  • Butanedioic acid, hydroxy-, disodium salt
  • Sodium malate (Na2(C4H4O5))
  • Disodium malate
  • DL-Malic acid disodium salt
  • Disodium DL-malate

Work with Sodium 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

Calcium malate17482-42-779 % similar Magnesium malate869-06-779 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-668 % similar Trisodium isocitrate1637-73-661 % similar Sodium α-hydroxybutyrate5094-24-658 % similar Sodium 3-hydroxybutyrate150-83-453 % similar Sodium 3-hydroxybutyrate306-31-053 % similar Sodium tartrate868-18-848 % similar

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

Same formula

L-Hydroxysuccinic acid disodium salt138-09-0 Sodium malate22798-10-3

Elsewhere

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