6-Phosphogluconic acid trisodium salt

C6H10Na3O10PCAS 53411-70-4342.08 g/mol

Open in Covalent MOL file
O−OOHOHOHOHOPO−O−ONa+Na+Na+
AlcoholCarboxylic acidPhosphate

Properties

Molecular formula
C6H10Na3O10P
Molar mass
342.08 g/mol
Exact mass
341.9705 Da
logP
-4.52Crippen estimate
Polar surface area
185.0 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
7
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.

Search the SDS library

Identifiers

CAS number
53411-70-4
SMILES
[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O.[Na+].[Na+].[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.

Weigh it out

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

Names and synonyms

4 names
  • D-Gluconic acid, 6-(dihydrogen phosphate), sodium salt (1:3)
  • D-Gluconic acid, 6-(dihydrogen phosphate), trisodium salt
  • Trisodium 6-phospho-D-gluconate
  • NSC 316735

Work with 6-Phosphogluconic acid trisodium salt

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

Disodium D-fructose 6-phosphate26177-86-667 % similar D-Glucose 6-phosphate disodium salt3671-99-659 % similar Sodium gluconate527-07-157 % similar Calcium fructose diphosphate6055-82-956 % similar Sodium α-glucoheptonate13007-85-756 % similar Sodium glucoheptonate31138-65-556 % similar Fructose 1,6-diphosphate trisodium salt38099-82-056 % similar Trisodium fructose 1,6-diphosphate octahydrate81028-91-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook