Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-

C₅H₆Na₂O₅CAS 103404-90-6192.08 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₅H₆Na₂O₅
Molar mass: 192.08 g/mol
Exact mass: 192.0011 Da
logP: -1.46Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

103404-90-6

SMILES

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

InChIKey

UVBKSRZGVBRXSI-HWYNEVGZSA-N

InChI

InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/t3-;;/m1../s1

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

Names and synonyms

2 names

Pentanedioic acid, 2-hydroxy-, disodium salt, (R)-
Pentanedioic acid, 2-hydroxy-, disodium salt, (2R)-

Work with Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-

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

L-Hydroxysuccinic acid disodium salt138-09-068 % similar Sodium malate22798-10-368 % similar Sodium malate676-46-068 % similar Sodium α-hydroxybutyrate5094-24-655 % similar Glutamic acid diacetate tetrasodium salt51981-21-654 % similar Calcium malate17482-42-753 % similar Magnesium malate869-06-753 % similar Disodium succinate150-90-350 % similar

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

Elsewhere

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