L-Threonic acid magnesium salt

C₈H₁₄MgO₁₀CAS 778571-57-6294.49 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₁₄MgO₁₀
Molar mass: 294.49 g/mol
Exact mass: 294.0437 Da
logP: -7.48Crippen estimate
Polar surface area: 201.6 Å²
H-bond donors / acceptors: 6 / 10
Rotatable bonds: 6
Stereocentres: S, R, S, Rin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

778571-57-6

SMILES

C([C@@H]([C@H](C(=O)[O-])O)O)O.C([C@@H]([C@H](C(=O)[O-])O)O)O.[Mg+2]

InChIKey

YVJOHOWNFPQSPP-BALCVSAKSA-L

InChI

InChI=1S/2C4H8O5.Mg/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1

Weigh it out

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

Work with L-Threonic acid magnesium salt

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

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.

Calcium L-threonate70753-61-6Salt Potassium (2R,3R)-2,3,4-trihydroxybutanoate88759-55-1Salt, diastereomer

Similar compounds

Magnesium gluconate3632-91-580 % similar Calcium gluconate18016-24-567 % similar Potassium gluconate299-27-467 % similar Calcium gluconate299-28-567 % similar Iron(II) gluconate299-29-667 % similar Zinc gluconate4468-02-467 % similar Sodium gluconate527-07-167 % similar Bis(D-gluconato-kappaO1,kappaO2)copper527-09-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook