D-Fructose 1,6-bisphosphate trisodium salt octahydrate - 10mM in Water , CAS No.38099-82-0

CAS: 38099-82-0 Cat. No.: D423759 Molecular Weight: 406.06(anhydrous basis) EC Number: 253-778-0 PubChem CID: 94482

GRADE & PURITY 10mM in Water

Synonyms

38099-82-0|Fosfructose trisodium anhydrous|Fosfructose trisodium|trisodium;[(2R,3R,4S)-2,3,4-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-5-oxohexyl] phosphate|Fosfructose (trisodium)|D-Fructose-1,6-diphosphate trisodium salt|D-Fructose 1,6-bisphosphate tri

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

38099-82-0 | Fosfructose trisodium anhydrous | Fosfructose trisodium | trisodium;[(2R, 3R, 4S)-2, 3, 4-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-5-oxohexyl] phosphate | Fosfructose (trisodium) | D-Fructose-1, 6-diphosphate trisodium salt | D-Fructose 1, 6-bisphosphate tri

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Common metabolic sugar. Precursor of glyceraldehyde 3-phosphate and dihydroxyacetone phosphate in the glycolytic pathway. Allosteric activator of enzymes such as pyruvate kinase and NAD + -dependent L-(+)-lactate dehydrogenase.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: C(C(C(C(C(=O)COP(=O)(O)[O-])O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;[(2R,3R,4S)-2,3,4-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-5-oxohexyl] phosphate
• InChIKey: CEHGLSKJDFICTB-PWVOXRODSA-K
• INCHI: 1S/C6H14O12P2.3Na/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-3/t3-,5-,6-;;;/m1.../s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)[O-])O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
• Alternate CAS: 488-69-7
• PubChem CID: 94482
• Molecular Weight: 406.06(anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses
            • Level7 Hexose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Hexoses
• Direct Parent: Hexose phosphates
• Alternative Parents: Monosaccharide phosphates Glycerone phosphates Beta-hydroxy ketones Alkyl phosphates Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose phosphate - Glycerone phosphate - Monosaccharide phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Organic alkali metal salt - Polyol - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
• 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: 406.060 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 405.942 Da
• Monoisotopic Mass: 405.942 Da
• Topological Polar Surface Area: 220.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

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