Calcium L-threonate

C₈H₁₄CaO₁₀CAS 70753-61-6310.27 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₁₄CaO₁₀
Molar mass: 310.27 g/mol
Exact mass: 310.0213 Da
logP: -2.60Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: R, S, R, Sin SMILES atom order

Identifiers

CAS number

70753-61-6

SMILES

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

InChIKey

IMYZCYXTVFOXAQ-LJUKVTEVSA-N

InChI

InChI=1S/C4H8O5.Ca/c5-1-2(6)3(7)4(8)9;/h2-3,5-7H,1H2,(H,8,9);/t2-,3+;/m0./s1

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Names and synonyms

3 names

Butanoic acid, 2,3,4-trihydroxy-, calcium salt (2:1), (2R,3S)-
Butanoic acid, 2,3,4-trihydroxy-, calcium salt (2:1), [R-(R*,S*)]-
Calcium (2R,3S)-2,3,4-trihydroxybutanoate

Work with Calcium L-threonate

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 gluconate18016-24-577 % similar D-Arabinonic acid, calcium salt (2:1)22373-09-777 % similar Calcium gluconate299-28-577 % similar Magnesium gluconate3632-91-564 % similar Calcium tartrate3164-34-963 % similar Potassium gluconate299-27-462 % similar Iron(II) gluconate299-29-662 % similar Zinc gluconate4468-02-462 % similar

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

Elsewhere

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