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Chemical structure of 6-Phosphogluconic acid trisodium

GC65015

6-Phosphogluconic acid trisodium

Also known as trisodium;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate

6-Phosphogluconic acid trisodium is a potent and competitive phosphoglucose isomerase (PGI) inhibitor with Kis of 48 μM for glucose 6-phosphate and 42 μM for fructose 6-phosphate

ChemicalCAS53411-70-4MW342.08FormulaC6H10Na3O10P
CAS number
53411-70-4
Molecular weight
342.08
Formula
C6H10Na3O10P
Solubility
H2O : 125 mg/mL (365·41 mM; Need ultrasonic)
InChIKey
CBQSOSFCUWVWAQ-ZLZZAMJUSA-K
Catalogue number
GC65015
Brand
GLPBIO
Computed properties PubChem CID 165364772 · TPSA 193 Ų · H-bond donors 4 · H-bond acceptors 10
TPSA
193 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
20

SMILES C([C@H]([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 165364772), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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