Calcium saccharate

C6H8CaO8CAS 5793-88-4248.20 g/mol

Open in Covalent MOL file
O−OOHOHOHOHO−OCa2+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H8CaO8
Molar mass
248.20 g/mol
Exact mass
247.9845 Da
logP
-3.78Crippen estimate
Polar surface area
155.5 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5
Stereocentres
R, S, S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
5793-88-4
SMILES
[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O.[Ca+2]
InChIKey
UGZVNIRNPPEDHM-SBBOJQDXSA-L
InChI
InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1

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Names and synonyms

6 names
  • D-Glucaric acid, calcium salt (1:1)
  • Glucaric acid, calcium salt (1:1), D-
  • Calcium D-glucarate
  • Calcium D-saccharate
  • Antacidin
  • Saccharated lime

Work with Calcium saccharate

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 D-saccharate tetrahydrate5793-89-5Hydrate Saccharic acid87-73-0Free acid Mucic acid526-99-8Free acid, diastereomer Potassium acid saccharate576-42-1Salt

Similar compounds

Calcium tartrate3164-34-981 % similar Calcium gluconate18016-24-569 % similar D-Arabinonic acid, calcium salt (2:1)22373-09-769 % similar Calcium gluconate299-28-569 % similar Calcium gluconate monohydrate66905-23-563 % similar Calcium L-threonate70753-61-659 % similar Barium tartrate5908-81-658 % similar Cupric tartrate815-82-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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