chempirical

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

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+]
InChIKey
CYTYYIYFHSYEAN-CXKLNRRHSA-N
InChI
InChI=1S/C6H13O10P.3Na/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;;/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15);;;/t2-,3-,4+,5-;;;/m1.../s1

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

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