chempirical

Calcium ascorbate

C12H14CaO12CAS 5743-27-1390.31 g/mol

Open in Covalent MOL file
O−O−OOOHHOOOOHOHOHHOCa2+
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C12H14CaO12
Molar mass
390.31 g/mol
Exact mass
390.0111 Da
logP
-1.79Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5743-27-1
SMILES
[O-]C[C@H]([O-])[C@H]1OC(=O)C(O)=C1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Ascorbic acid, calcium salt (2:1)
  • Calci-C
  • Ascorbic acid calcium salt
  • Hemicalcium ascorbate
  • L-Ascorbic acid calcium salt
  • As-cal
  • Calcascorbin
  • Calcio
  • Calcio-ci
  • Calscorbate
  • Erivit C
  • Ascalan
  • Ascorvit CA
  • E 302

Work with Calcium ascorbate

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 ascorbate dihydrate5743-28-2Hydrate Chemistry of ascorbic acid50-81-7Parent compound Erythorbic acid89-65-6Parent compound, diastereomer Sodium ascorbate134-03-2Salt Sodium erythorbate6381-77-7Salt, diastereomer D-Erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-6Salt, diastereomer

Similar compounds

3-O-Ethylascorbic acid86404-04-846 % similar Magnesium ascorbyl phosphate108910-78-744 % similar Magnesium ascorbyl phosphate113170-55-144 % similar Ascorbyl glucoside129499-78-141 % similar Ascorbyl palmitate137-66-641 % similar Dehydroascorbic acid490-83-541 % similar (+)-5,6-O-Isopropylidene-L-ascorbic acid15042-01-036 % similar Sodium ascorbyl phosphate66170-10-334 % similar

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

Elsewhere

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