chempirical

Disodium citrate

C6H6Na2O7CAS 144-33-2236.09 g/mol

Open in Covalent MOL file
O−OHOO−OOHONa+Na+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H6Na2O7
Molar mass
236.09 g/mol
Exact mass
235.9909 Da
logP
-2.01Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
144-33-2
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C(=O)O.[Na+].[Na+]
InChIKey
UWJDLABDOBGBFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.2Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;

Weigh it out

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

Names and synonyms

9 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:2)
  • Citric acid, disodium salt
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt
  • Sodium citrate (Na2O7C6H6)
  • Alkacitron
  • Citralka
  • Disodium hydrogen citrate
  • Disodium monohydrogen citrate
  • Monobasic sodium citrate

Work with Disodium citrate

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

Sodium 1,2,3-propanetricarboxylate hydrate (4:2:3)6132-05-490 % similar Monosodium citrate18996-35-584 % similar Copper citrate10402-15-079 % similar Magnesium hydrogen citrate144-23-079 % similar Magnesium citrate (3:2)3344-18-179 % similar Zinc citrate546-46-379 % similar Magnesium citrate7779-25-179 % similar Calcium citrate813-94-579 % similar

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

Elsewhere

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