Sodium glucoheptonate

C7H13NaO8CAS 31138-65-5248.16 g/mol

Open in Covalent MOL file
O−OOHOHOHOHOHOHNa+
AlcoholCarboxylic acid

Properties

Molecular formula
C7H13NaO8
Molar mass
248.16 g/mol
Exact mass
248.0508 Da
logP
-4.51Crippen estimate
Polar surface area
158.7 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
6
Stereocentres
R, S, R, Rin 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
31138-65-5
SMILES
[O-]C(=O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • D-Gluco-Heptonic acid, sodium salt (1:1), (2ξ)-
  • D-Gluco-Heptonic acid, monosodium salt, (2ξ)-
  • D-Glucoheptonic acid, monosodium salt
  • Monosodium glucoheptonate
  • Cheelox 354

Work with Sodium glucoheptonate

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.

Sodium α-glucoheptonate13007-85-7Stereoisomer

Similar compounds

Sodium gluconate527-07-197 % similar Magnesium gluconate3632-91-581 % similar Calcium gluconate18016-24-579 % similar Potassium gluconate299-27-479 % similar Calcium gluconate299-28-579 % similar Iron(II) gluconate299-29-679 % similar Zinc gluconate4468-02-479 % similar Bis(D-gluconato-kappaO1,kappaO2)copper527-09-379 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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