D-Arabinonic acid, calcium salt (2:1)

C₁₀H₁₈CaO₁₂CAS 22373-09-7370.32 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₀H₁₈CaO₁₂
Molar mass: 370.32 g/mol
Exact mass: 370.0424 Da
logP: -3.23Crippen estimate
Polar surface area: 118.2 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 4
Stereocentres: S, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number

22373-09-7

SMILES

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

InChIKey

RMGJOMGLQFWXSQ-PSRPMNHMSA-N

InChI

InChI=1S/C5H10O6.Ca/c6-1-2(7)3(8)4(9)5(10)11;/h2-4,6-9H,1H2,(H,10,11);/t2-,3-,4+;/m1./s1

Weigh it out

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

Names and synonyms

2 names

Arabinonic acid, calcium salt (2:1), D-
NSC 224305

Work with D-Arabinonic acid, calcium salt (2:1)

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 gluconate18016-24-593 % similar Calcium gluconate299-28-593 % similar Magnesium gluconate3632-91-578 % similar Calcium L-threonate70753-61-677 % similar Potassium gluconate299-27-476 % similar Iron(II) gluconate299-29-676 % similar Zinc gluconate4468-02-476 % similar Sodium gluconate527-07-176 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook