chempirical

Calcium gluconate

C12H22CaO14CAS 299-28-5430.37 g/mol

Open in Covalent MOL file
O−OOHOHOHOHOHO−OOHOHOHOHOHCa2+
AlcoholCarboxylic acid

Properties

Molecular formula
C12H22CaO14
Molar mass
430.37 g/mol
Exact mass
430.0635 Da
Melting point
120 °C
logP
-3.87Crippen estimate
Polar surface area
138.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5
Stereocentres
R, S, R, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number
299-28-5
SMILES
[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]
InChIKey
QDCSTXADKDXERF-JJKGCWMISA-N
InChI
InChI=1S/C6H12O7.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/t2-,3-,4+,5-;/m1./s1

Weigh it out

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

Names and synonyms

16 names · show all
  • D-Gluconic acid, calcium salt (2:1)
  • Gluconic acid, calcium salt (2:1), D-
  • Calciofon
  • Calglucon
  • Glucobiogen
  • Ebucin
  • Glucal
  • Calcium D-gluconate
  • Kalpren
  • Dragocal
  • Calcipur
  • Novocal
  • Calglucol
  • Calcium hexagluconate
  • Calcicol
  • Biocal

Work with Calcium gluconate

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

D-Arabinonic acid, calcium salt (2:1)22373-09-793 % similar Magnesium gluconate3632-91-584 % similar Potassium gluconate299-27-481 % similar Iron(II) gluconate299-29-681 % similar Zinc gluconate4468-02-481 % similar Sodium gluconate527-07-181 % similar Bis(D-gluconato-κO1,κO2)copper527-09-381 % similar Manganese gluconate6485-39-881 % similar

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

Same formula

Calcium gluconate18016-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook