Bis(D-gluconato-κO1,κO2)copper

C₁₂H₂₂CuO₁₄CAS 527-09-3453.84 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₂H₂₂CuO₁₄
Molar mass: 453.84 g/mol
Exact mass: 453.0306 Da
Melting point: 155–157 °C
logP: -9.66Crippen estimate
Polar surface area: 282.6 Å²
H-bond donors / acceptors: 10 / 14
Rotatable bonds: 10
Stereocentres: R, S, R, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number

527-09-3

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.[Cu+2]

InChIKey

OCUCCJIRFHNWBP-IYEMJOQQSA-L

InChI

InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1

Weigh it out

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

Names and synonyms

10 names

Copper, bis(D-gluconato-κO1,κO2)-
Gluconic acid, copper(2+) salt (2:1), D-
Copper, bis(D-gluconato-O1,O2)-
D-Gluconic acid, copper complex
Cupric gluconate
Gluconic acid, copper(2+) salt
D-Gluconic acid, copper(2+) salt
Copper(II) gluconate
Helshas cu
Labicuper

Work with Bis(D-gluconato-κO1,κO2)copper

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

Magnesium gluconate3632-91-584 % similar Calcium gluconate18016-24-581 % similar Potassium gluconate299-27-481 % similar Calcium gluconate299-28-581 % similar Iron(II) gluconate299-29-681 % similar Zinc gluconate4468-02-481 % similar Sodium gluconate527-07-181 % similar Manganese gluconate6485-39-881 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook