Sodium 1,2,3-propanetricarboxylate hydrate (4:2:3)

C₆H₈Na₂O₈CAS 6132-05-4254.10 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₆H₈Na₂O₈
Molar mass: 254.10 g/mol
Exact mass: 254.0015 Da
logP: -2.83Crippen estimate
Polar surface area: 163.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5

Identifiers

CAS number

6132-05-4

SMILES

[O-]C(=O)CC(O)(CC([O-])=O)C(=O)O.O.[Na+].[Na+]

InChIKey

XMDVRPCTARRQCY-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O7.2Na.H2O/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);;;1H2

Weigh it out

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

Names and synonyms

3 names

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3)
Citric acid, disodium salt, sesquihydrate
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate (2:3)

Work with Sodium 1,2,3-propanetricarboxylate hydrate (4:2:3)

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

Disodium citrate144-33-290 % similar Calcium citrate tetrahydrate5785-44-481 % similar Monosodium citrate18996-35-576 % similar Copper citrate10402-15-072 % similar Magnesium hydrogen citrate144-23-072 % similar Magnesium citrate (3:2)3344-18-172 % similar Zinc citrate546-46-372 % similar Magnesium citrate7779-25-172 % similar

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

Elsewhere

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