Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate | CAS No. 81028-91-3

Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate

Basic Information

CAS Number

81028-91-3

Molecular Formula

C6H27Na3O20P2

Molecular Weight

550.18 g/mol

AD

Basic Physical Properties

Boiling Point

722.6°C at 760 mmHg

Water Solubility

Soluble in water

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

InChI

InChI=1S/C6H14O12P2.3Na.8H2O/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);;;;8*1H2/q;3*+1;;;;;;;;/p-3/t3-,5-,6-;;;;;;;;;;;/m1.........../s1

InChIKey

BUMXRRGJJDMPRT-PESUWTOCSA-K

LogP

-2.34300

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

  • D-Fructose-1,6-diphosphate trisodium salt octahydrate
  • D-Fructose 1,6-bisphosphate trisodium salt octahydrate (FDP)
  • D-Fructose 1,6-bisphosphate trisodium salt hydrate
  • D-Fructose 1,6-bisphosphate trisodium salt octahydrate
  • D-FRUCTOSE 1,6-DIPHOSPHATE TRISODIUM SALT
  • D-FRUCTOSE-1,6-DIPHOSPHATE MAGNESIUM SALT
  • Trisodium fructose 1,6-diphosphate octahydrate
  • ForManilide
  • Fosfructose trisodium octahydrate

MDL Number

MFCD03427650

FAQ

What are the physical and chemical properties of Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate (CAS: 81028-91-3)?

Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate is a white crystalline solid with a molecular weight of approximately 546.6 g/mol. It has good solubility in water and poor solubility in organic solvents. This compound is moderately reactive, especially with strong bases. It can form hydrogen bonds and exhibit complex interactions with other molecules.

How is Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate (CAS: 81028-91-3) typically synthesized?

Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate is synthesized through a multi-step process involving the reaction of a suitable diol with phosphorus oxychloride followed by neutralization with sodium hydroxide. Commonly used catalysts include triethylamine. The overall process yields high purity product with good selectivity and yields.

What industries use Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate (CAS: 81028-91-3)?

Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate is primarily used in the pharmaceutical industry for the synthesis of certain medicinal compounds. Additionally, it has applications in the semiconductor industry, particularly in the fabrication of electronic devices where high purity is essential.

What precautions should be taken when handling Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate (CAS: 81028-91-3)?

When handling Sodium (3S,4R,5R)-6-((hydrogenphosphonato)oxy)-3,4,5-trihydroxy-2-oxohexyl phosphate octahydrate, it is recommended to work in a fume hood. Use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a cool, dry place away from strong acids and bases. In case of spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions.

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