Calcium D-saccharate tetrahydrate

C₆H₁₆CaO₁₂CAS 5793-89-5320.26 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₆H₁₆CaO₁₂
Molar mass: 320.26 g/mol
Exact mass: 320.0268 Da
logP: -7.08Crippen estimate
Polar surface area: 281.5 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 5
Stereocentres: R, S, S, Sin SMILES atom order

Identifiers

CAS number

5793-89-5

SMILES

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

InChIKey

SKUXXZGJLHEMHY-WQMSYZFBSA-N

InChI

InChI=1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/t1-,2-,3-,4+;;;;;/m0...../s1

Weigh it out

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

Names and synonyms

3 names

D-Glucaric acid, calcium salt, hydrate (1:1:4)
Glucaric acid, calcium salt, tetrahydrate, D-
D-Glucaric acid, calcium salt (1:1), tetrahydrate

Work with Calcium D-saccharate tetrahydrate

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 saccharate5793-88-487 % similar Calcium tartrate3164-34-971 % similar Sodium tartrate dihydrate6106-24-763 % similar Calcium gluconate18016-24-563 % similar D-Arabinonic acid, calcium salt (2:1)22373-09-763 % similar Calcium gluconate299-28-563 % similar Ferrous gluconate dihydrate12389-15-057 % similar D-Gluconic acid, iron(2+) salt, hydrate (2:1:2)22830-45-157 % similar

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

Elsewhere

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