6-Phosphogluconic acid trisodium salt - ≥99% , CAS No.53411-70-4

CAS: 53411-70-4 Cat. No.: P111889 Molecular Weight: 342.08 Beilstein Registry Number: 3814212 EC Number: 258-543-6 PubChem CID: 16219886

GRADE & PURITY ≥99%

Synonyms

6-Phosphogluconic acid trisodium salt | gluconate-6-phosphate trisodium salt | 6-Phosphogluconic acid, trisodium salt dihydrate | D-Gluconate 6-phosphate trisodium salt | sodium (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(phosphonatooxy)hexanoate | trisodium;(2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

6-Phosphogluconic acid trisodium salt | gluconate-6-phosphate trisodium salt | 6-Phosphogluconic acid, trisodium salt dihydrate | D-Gluconate 6-phosphate trisodium salt | sodium (2R, 3S, 4R, 5R)-2, 3, 4, 5-tetrahydroxy-6-(phosphonatooxy)hexanoate | trisodium;(2

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Phosphogluconic acid is an intermediate in the pentose phosphate pathway.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(C(C(C(C(C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
• InChIKey: CBQSOSFCUWVWAQ-CXKLNRRHSA-K
• 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);;;/q;3*+1/p-3/t2-,3-,4+,5-;;;/m1.../s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 16219886
• Molecular Weight: 342.08
• Beilstein: 3814212

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Monosaccharide phosphates
• Alternative Parents: Hexoses Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Sugar acids and derivatives Beta hydroxy acids and derivatives Hydroxy fatty acids Alkyl phosphates 1,2-diols Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gluconic_acid - Hexose monosaccharide - Monosaccharide phosphate - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Hydroxy acid - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Organic sodium salt - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 342.080 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 341.97 Da
• Monoisotopic Mass: 341.97 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

References

1. Huichun Shi, Siyuan Liu, Zhimi Tan, Lin Yin, Liyan Zeng, Tiefu Liu, Shuye Zhang, Lijun Zhang.  (2022)  Proteomic and metabonomic analysis uncovering Enterovirus A71 reprogramming host cell metabolic pathway.  PROTEOMICS,  23  (2): (2200362).  [PMID:36254857] [10.1002/pmic.202200362]

2. Yang Tang, Zheng Wang, Feng Zhou, Ling Li, Chen Sun, Linhui Li, Fei Tang, Dongqin Huang, Zewei Li, Yang Tan, Gang Pei.  (2025)  Benzoylpaeoniflorin alleviates ulcerative colitis by inhibiting ferroptosis through targeting phosphogluconic dehydrogenase.  PHYTOMEDICINE,      [PMID:40829505] [10.1016/j.phymed.2025.157111]